2-(4-methoxyphenyl)-1-methylbenzimidazole-4-carboxamide

C16H15N3O2 — CID 10540772

IUPAC2-(4-methoxyphenyl)-1-methylbenzimidazole-4-carboxamide
SMILESCOc1ccc(-c2nc3c(C(N)=O)cccc3n2C)cc1
InChIInChI=1S/C16H15N3O2/c1-19-13-5-3-4-12(15(17)20)14(13)18-16(19)10-6-8-11(21-2)9-7-10/h3-9H,1-2H3,(H2,17,20)
InChIKeyOUYLJUGKAHFFAR-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.35
Rot. Bonds3

About 2-(4-methoxyphenyl)-1-methylbenzimidazole-4-carboxamide

2-(4-methoxyphenyl)-1-methylbenzimidazole-4-carboxamide (PubChem CID 10540772) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-methylbenzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-methylbenzimidazole-4-carboxamide
PubChem CID10540772
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name2-(4-methoxyphenyl)-1-methylbenzimidazole-4-carboxamide
SMILESCOc1ccc(-c2nc3c(C(N)=O)cccc3n2C)cc1
InChIInChI=1S/C16H15N3O2/c1-19-13-5-3-4-12(15(17)20)14(13)18-16(19)10-6-8-11(21-2)9-7-10/h3-9H,1-2H3,(H2,17,20)
InChIKeyOUYLJUGKAHFFAR-UHFFFAOYSA-N
XLogP2.35
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-2-methylbenzimidazole-4-carboxamide
CID 150414284
2-(3,4-dimethoxyphenyl)-1-methylbenzimidazol-4-amine
CID 82067974
2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum
CID 91868096
7-(4-methoxyphenyl)-9-[(4-methylphenyl)methyl]carbazole-4-carboxamide
CID 174401048
1-hydroxy-2-(4-methoxyphenyl)-4-methylbenzimidazole
CID 15514766
1-ethyl-5-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 68561015
9-[(2,6-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 175233547
9-[(2-ethylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174418321
9-[(4-carbamoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174400022
5-(4-methoxyphenyl)-1,3-dimethylindole-2-carboxamide
CID 174893030
2-(1,4-diazepan-1-yl)-1-methylbenzimidazole-4-carboxamide
CID 18428086
1-[5-(4-methoxyphenyl)-1-methyl-2-phenylimidazol-4-yl]ethanone
CID 132512555

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-methylbenzimidazole-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-1-methylbenzimidazole-4-carboxamide (CID 10540772) is 2-(4-methoxyphenyl)-1-methylbenzimidazole-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-methylbenzimidazole-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-1-methylbenzimidazole-4-carboxamide is COc1ccc(-c2nc3c(C(N)=O)cccc3n2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-methylbenzimidazole-4-carboxamide?
The InChIKey is OUYLJUGKAHFFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-19-13-5-3-4-12(15(17)20)14(13)18-16(19)10-6-8-11(21-2)9-7-10/h3-9H,1-2H3,(H2,17,20).
What are the key properties of 2-(4-methoxyphenyl)-1-methylbenzimidazole-4-carboxamide?
2-(4-methoxyphenyl)-1-methylbenzimidazole-4-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-methylbenzimidazole-4-carboxamide is sourced from PubChem (CID 10540772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).