6-methoxy-1-phenylbenzimidazole

C14H12N2O — CID 652633

IUPAC6-methoxy-1-phenylbenzimidazole
SMILESCOc1ccc2ncn(-c3ccccc3)c2c1
InChIInChI=1S/C14H12N2O/c1-17-12-7-8-13-14(9-12)16(10-15-13)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyDBDPQMUWFPDEFP-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.03
Rot. Bonds2

About 6-methoxy-1-phenylbenzimidazole

6-methoxy-1-phenylbenzimidazole (PubChem CID 652633) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 6-methoxy-1-phenylbenzimidazole.

Molecular Properties

Compound Name6-methoxy-1-phenylbenzimidazole
PubChem CID652633
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name6-methoxy-1-phenylbenzimidazole
SMILESCOc1ccc2ncn(-c3ccccc3)c2c1
InChIInChI=1S/C14H12N2O/c1-17-12-7-8-13-14(9-12)16(10-15-13)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyDBDPQMUWFPDEFP-UHFFFAOYSA-N
XLogP3.03
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-1-phenylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-1H-benzimidazole
CID 78598
Omeprazole sulfenamide
CID 5311467
4-(1H-1,3-benzodiazol-1-yl)phenol
CID 5328449
5-methoxy-2-methyl-1H-1,3-benzodiazole
CID 3509826
1-Phenyl-5-hydroxybenzimidazole
CID 667662
1H-Benzimidazole, 5-methoxy-1-phenyl-
CID 5328466
1-Phenylbenzimidazole deriv. 95
CID 5328493
5-ethoxy-1-phenyl-1H-1,3-benzodiazole
CID 5328497
1-phenyl-5-propoxy-1H-1,3-benzodiazole
CID 5328498
1-phenyl-5-(prop-2-en-1-yloxy)-1H-1,3-benzodiazole
CID 5328501
4-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]butan-1-ol
CID 5328502
5-(2,3-Epoxypropoxy)-1-phenylbenzimidazole
CID 5328503

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-phenylbenzimidazole?
The IUPAC name of 6-methoxy-1-phenylbenzimidazole (CID 652633) is 6-methoxy-1-phenylbenzimidazole.
What is the SMILES notation for 6-methoxy-1-phenylbenzimidazole?
The canonical SMILES for 6-methoxy-1-phenylbenzimidazole is COc1ccc2ncn(-c3ccccc3)c2c1.
What is the InChIKey of 6-methoxy-1-phenylbenzimidazole?
The InChIKey is DBDPQMUWFPDEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-17-12-7-8-13-14(9-12)16(10-15-13)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 6-methoxy-1-phenylbenzimidazole?
6-methoxy-1-phenylbenzimidazole has a molecular weight of 224.26 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-phenylbenzimidazole is sourced from PubChem (CID 652633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).