(S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide
TL;DR: (S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide (CAS 1173677-99-0) is a chemical compound with molecular formula C20H20FN5O2 and molecular weight 381.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
Also Known As: (S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide, N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide, N-{(2S)-1-[(4-fluorobenzyl)amino]-1-oxopropan-2-yl}-2,3-dihydro-1H-imidazo[1,2-a]benzimidazole-1-carboxamide
| Molecular Formula | C20H20FN5O2 |
|---|---|
| Molecular Weight | 381.16 g/mol |
| LogP | 2.4099 |
| Topological Polar Surface Area | 79.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.1601 |
| Heavy Atoms | 28 |
| Complexity | 1030.757 |
Chemical Identifiers
| CAS Number | 1173677-99-0 |
|---|---|
| SMILES | C[C@@H](C(=O)NCC1=CC=C(C=C1)F)NC(=O)N2CCN3C2=NC4=CC=CC=C43 |
Product Overview
(S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide (CAS 1173677-99-0), with molecular formula C20H20FN5O2 and molecular weight 381.16 g/mol. IUPAC: N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide.
Chemical Property Profile of (S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide
Property Insights of (S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide
The XLogP value of 2.4099 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide. The TPSA of 79.26 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide. Following Lipinski's Rule of Five, (S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide?
The CAS number of (S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide is 1173677-99-0.
What is the molecular formula of (S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide?
The molecular formula of (S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide is C20H20FN5O2.
What is the molecular weight of (S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide?
The molecular weight of (S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide is 381.16 g/mol.
Where can I buy (S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide?
You can request a quote for (S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-2,3-dihydro-1H-benzo[d]imidazo[1,2-a]imidazole-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.