2-(3-methoxyphenyl)-1H-benzimidazole-4-carboxamide

C15H13N3O2 — CID 1511

IUPAC2-(3-methoxyphenyl)-1H-benzimidazole-4-carboxamide
SMILESCOc1cccc(-c2nc3c(C(N)=O)cccc3[nH]2)c1
InChIInChI=1S/C15H13N3O2/c1-20-10-5-2-4-9(8-10)15-17-12-7-3-6-11(14(16)19)13(12)18-15/h2-8H,1H3,(H2,16,19)(H,17,18)
InChIKeyNVVWVYYHTKCIAE-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.34
Rot. Bonds3

About 2-(3-methoxyphenyl)-1H-benzimidazole-4-carboxamide

2-(3-methoxyphenyl)-1H-benzimidazole-4-carboxamide (PubChem CID 1511) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1H-benzimidazole-4-carboxamide
PubChem CID1511
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-(3-methoxyphenyl)-1H-benzimidazole-4-carboxamide
SMILESCOc1cccc(-c2nc3c(C(N)=O)cccc3[nH]2)c1
InChIInChI=1S/C15H13N3O2/c1-20-10-5-2-4-9(8-10)15-17-12-7-3-6-11(14(16)19)13(12)18-15/h2-8H,1H3,(H2,16,19)(H,17,18)
InChIKeyNVVWVYYHTKCIAE-UHFFFAOYSA-N
XLogP2.34
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-1H-benzimidazole-4-carboxamide (CID 1511) is 2-(3-methoxyphenyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-1H-benzimidazole-4-carboxamide is COc1cccc(-c2nc3c(C(N)=O)cccc3[nH]2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is NVVWVYYHTKCIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-10-5-2-4-9(8-10)15-17-12-7-3-6-11(14(16)19)13(12)18-15/h2-8H,1H3,(H2,16,19)(H,17,18).
What are the key properties of 2-(3-methoxyphenyl)-1H-benzimidazole-4-carboxamide?
2-(3-methoxyphenyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 1511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).