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5-[(Thiophen-2-ylmethyl)-amino]-1,3-dihydro-benzoimidazol-2-one
TL;DR: 5-[(Thiophen-2-ylmethyl)-amino]-1,3-dihydro-benzoimidazol-2-one (CAS 38792-94-8) is a chemical compound with molecular formula C12H11N3OS and molecular weight 245.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(thiophen-2-ylmethylamino)-1,3-dihydrobenzimidazol-2-one
Also Known As: isoamylacetate, 5-[(Thiophen-2-ylmethyl)-amino]-1,3-dihydro-benzoimidazol-2-one, 2171AE, 5-(thiophen-2-ylmethylamino)-1,3-dihydrobenzimidazol-2-one, BAS 02919013
| Molecular Formula | C12H11N3OS |
|---|---|
| Molecular Weight | 245.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.06229 |
| Heavy Atoms | 17 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 38792-94-8 |
|---|---|
| SMILES | C1=CSC(=C1)CNC2=CC3=C(C=C2)NC(=O)N3 |
| InChIKey | IMRKTPVKHSGJLY-UHFFFAOYSA-N |
Product Overview
5-[(Thiophen-2-ylmethyl)-amino]-1,3-dihydro-benzoimidazol-2-one (CAS 38792-94-8), with molecular formula C12H11N3OS and molecular weight 245.06 g/mol. IUPAC: 5-(thiophen-2-ylmethylamino)-1,3-dihydrobenzimidazol-2-one.
Chemical Property Profile of 5-[(Thiophen-2-ylmethyl)-amino]-1,3-dihydro-benzoimidazol-2-one
Property Insights of 5-[(Thiophen-2-ylmethyl)-amino]-1,3-dihydro-benzoimidazol-2-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(Thiophen-2-ylmethyl)-amino]-1,3-dihydro-benzoimidazol-2-one. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(Thiophen-2-ylmethyl)-amino]-1,3-dihydro-benzoimidazol-2-one. Following Lipinski's Rule of Five, 5-[(Thiophen-2-ylmethyl)-amino]-1,3-dihydro-benzoimidazol-2-one has 3 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 5-[(Thiophen-2-ylmethyl)-amino]-1,3-dihydro-benzoimidazol-2-one?
The CAS number of 5-[(Thiophen-2-ylmethyl)-amino]-1,3-dihydro-benzoimidazol-2-one is 38792-94-8.
What is the molecular formula of 5-[(Thiophen-2-ylmethyl)-amino]-1,3-dihydro-benzoimidazol-2-one?
The molecular formula of 5-[(Thiophen-2-ylmethyl)-amino]-1,3-dihydro-benzoimidazol-2-one is C12H11N3OS.
What is the molecular weight of 5-[(Thiophen-2-ylmethyl)-amino]-1,3-dihydro-benzoimidazol-2-one?
The molecular weight of 5-[(Thiophen-2-ylmethyl)-amino]-1,3-dihydro-benzoimidazol-2-one is 245.06 g/mol.
Where can I buy 5-[(Thiophen-2-ylmethyl)-amino]-1,3-dihydro-benzoimidazol-2-one?
You can request a quote for 5-[(Thiophen-2-ylmethyl)-amino]-1,3-dihydro-benzoimidazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(Thiophen-2-ylmethyl)-amino]-1,3-dihydro-benzoimidazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-[(Thiophen-2-ylmethyl)-amino]-1,3-dihydro-benzoimidazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.