7-methoxy-3H-benzimidazole-5-carbonitrile

C9H7N3O — CID 130952637

IUPAC7-methoxy-3H-benzimidazole-5-carbonitrile
SMILESCOc1cc(C#N)cc2[nH]cnc12
InChIInChI=1S/C9H7N3O/c1-13-8-3-6(4-10)2-7-9(8)12-5-11-7/h2-3,5H,1H3,(H,11,12)
InChIKeyANJPVTQFSXRTMF-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.44
Rot. Bonds1

About 7-methoxy-3H-benzimidazole-5-carbonitrile

7-methoxy-3H-benzimidazole-5-carbonitrile (PubChem CID 130952637) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol. Its IUPAC name is 7-methoxy-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name7-methoxy-3H-benzimidazole-5-carbonitrile
PubChem CID130952637
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Name7-methoxy-3H-benzimidazole-5-carbonitrile
SMILESCOc1cc(C#N)cc2[nH]cnc12
InChIInChI=1S/C9H7N3O/c1-13-8-3-6(4-10)2-7-9(8)12-5-11-7/h2-3,5H,1H3,(H,11,12)
InChIKeyANJPVTQFSXRTMF-UHFFFAOYSA-N
XLogP1.44
TPSA61.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-methoxy-3H-benzimidazole-5-carbonitrile 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

2-(6-cyano-1H-benzimidazol-4-yl)acetic acid
CID 131605396
7-methoxy-3H-imidazo[4,5-c]pyridine
CID 76845964
4-methoxy-2-propan-2-yl-1H-indole-6-carbonitrile
CID 164812254
6-amino-5-methoxypyridine-3-carbonitrile
CID 89437143
6-chloro-5-methoxypyridine-3-carbonitrile
CID 53395594
4,5-dimethoxy-1H-benzimidazole
CID 54423692
4-fluoro-5-methoxy-1H-benzimidazole
CID 130850479
CID 168890257
CID 168890257
methyl 6-methoxy-5-methyl-1H-benzimidazole-4-carboxylate
CID 68793766
3-amino-4-fluoro-5-methoxybenzonitrile
CID 131288203
5-(4-cyano-2-methoxyphenoxy)pyridine-2-carbonitrile
CID 115487862
4-(4-methoxy-3-methylphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135465859

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 7-methoxy-3H-benzimidazole-5-carbonitrile (CID 130952637) is 7-methoxy-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 7-methoxy-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 7-methoxy-3H-benzimidazole-5-carbonitrile is COc1cc(C#N)cc2[nH]cnc12.
What is the InChIKey of 7-methoxy-3H-benzimidazole-5-carbonitrile?
The InChIKey is ANJPVTQFSXRTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c1-13-8-3-6(4-10)2-7-9(8)12-5-11-7/h2-3,5H,1H3,(H,11,12).
What are the key properties of 7-methoxy-3H-benzimidazole-5-carbonitrile?
7-methoxy-3H-benzimidazole-5-carbonitrile has a molecular weight of 173.17 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 130952637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).