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1-isobutyl-1H-benzo[d]imidazol-2(3H)-one
TL;DR: 1-isobutyl-1H-benzo[d]imidazol-2(3H)-one (CAS 77557-03-0) is a chemical compound with molecular formula C11H14N2O and molecular weight 190.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylpropyl)-1H-benzimidazol-2-one
Also Known As: 1-isobutyl-1H-benzo[d]imidazol-2(3H)-one, 3-(2-methylpropyl)-1H-benzimidazol-2-one, 1-Isobutyl-1H-benzimidazol-2-ol, 1-Isobutyl-1H-benzo[d]imidazol-2-ol, 1-Isobutyl-1,3-dihydro-benzoimidazol-2-one
| Molecular Formula | C11H14N2O |
|---|---|
| Molecular Weight | 190.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.11061 |
| Heavy Atoms | 14 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 77557-03-0 |
|---|---|
| SMILES | CC(C)CN1C2=CC=CC=C2NC1=O |
| InChIKey | RQSSRMZCPBEQTE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-isobutyl-1H-benzo[d]imidazol-2(3H)-one (CAS 77557-03-0), with molecular formula C11H14N2O and molecular weight 190.11 g/mol. IUPAC: 3-(2-methylpropyl)-1H-benzimidazol-2-one.
Chemical Property Profile of 1-isobutyl-1H-benzo[d]imidazol-2(3H)-one
Property Insights of 1-isobutyl-1H-benzo[d]imidazol-2(3H)-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-isobutyl-1H-benzo[d]imidazol-2(3H)-one. With a topological polar surface area (TPSA) of 32.3 Ų, 1-isobutyl-1H-benzo[d]imidazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-isobutyl-1H-benzo[d]imidazol-2(3H)-one has 1 hydrogen bond donor(s) and 1 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 1-isobutyl-1H-benzo[d]imidazol-2(3H)-one?
The CAS number of 1-isobutyl-1H-benzo[d]imidazol-2(3H)-one is 77557-03-0.
What is the molecular formula of 1-isobutyl-1H-benzo[d]imidazol-2(3H)-one?
The molecular formula of 1-isobutyl-1H-benzo[d]imidazol-2(3H)-one is C11H14N2O.
What is the molecular weight of 1-isobutyl-1H-benzo[d]imidazol-2(3H)-one?
The molecular weight of 1-isobutyl-1H-benzo[d]imidazol-2(3H)-one is 190.11 g/mol.
Where can I buy 1-isobutyl-1H-benzo[d]imidazol-2(3H)-one?
You can request a quote for 1-isobutyl-1H-benzo[d]imidazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-isobutyl-1H-benzo[d]imidazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-isobutyl-1H-benzo[d]imidazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.