2-(2-methylphenyl)-1H-benzimidazole-4-carboxamide

C15H13N3O — CID 155676753

IUPAC2-(2-methylphenyl)-1H-benzimidazole-4-carboxamide
SMILESCc1ccccc1-c1nc2c(C(N)=O)cccc2[nH]1
InChIInChI=1S/C15H13N3O/c1-9-5-2-3-6-10(9)15-17-12-8-4-7-11(14(16)19)13(12)18-15/h2-8H,1H3,(H2,16,19)(H,17,18)
InChIKeyDBXVKUKMIGIWFT-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.64
Rot. Bonds2

About 2-(2-methylphenyl)-1H-benzimidazole-4-carboxamide

2-(2-methylphenyl)-1H-benzimidazole-4-carboxamide (PubChem CID 155676753) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-1H-benzimidazole-4-carboxamide
PubChem CID155676753
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-(2-methylphenyl)-1H-benzimidazole-4-carboxamide
SMILESCc1ccccc1-c1nc2c(C(N)=O)cccc2[nH]1
InChIInChI=1S/C15H13N3O/c1-9-5-2-3-6-10(9)15-17-12-8-4-7-11(14(16)19)13(12)18-15/h2-8H,1H3,(H2,16,19)(H,17,18)
InChIKeyDBXVKUKMIGIWFT-UHFFFAOYSA-N
XLogP2.64
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(2-methylphenyl)-1H-benzimidazole-4-carboxamide (CID 155676753) is 2-(2-methylphenyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(2-methylphenyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(2-methylphenyl)-1H-benzimidazole-4-carboxamide is Cc1ccccc1-c1nc2c(C(N)=O)cccc2[nH]1.
What is the InChIKey of 2-(2-methylphenyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is DBXVKUKMIGIWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-9-5-2-3-6-10(9)15-17-12-8-4-7-11(14(16)19)13(12)18-15/h2-8H,1H3,(H2,16,19)(H,17,18).
What are the key properties of 2-(2-methylphenyl)-1H-benzimidazole-4-carboxamide?
2-(2-methylphenyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 155676753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).