N-(2-carbamoylphenyl)-2-methyl-3H-benzimidazole-5-carboxamide

C16H14N4O2 — CID 110692517

IUPACN-(2-carbamoylphenyl)-2-methyl-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3ccccc3C(N)=O)cc2[nH]1
InChIInChI=1S/C16H14N4O2/c1-9-18-13-7-6-10(8-14(13)19-9)16(22)20-12-5-3-2-4-11(12)15(17)21/h2-8H,1H3,(H2,17,21)(H,18,19)(H,20,22)
InChIKeyOTGYRILUOYZDLE-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.22
Rot. Bonds3

About N-(2-carbamoylphenyl)-2-methyl-3H-benzimidazole-5-carboxamide

N-(2-carbamoylphenyl)-2-methyl-3H-benzimidazole-5-carboxamide (PubChem CID 110692517) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-2-methyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-2-methyl-3H-benzimidazole-5-carboxamide
PubChem CID110692517
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-(2-carbamoylphenyl)-2-methyl-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3ccccc3C(N)=O)cc2[nH]1
InChIInChI=1S/C16H14N4O2/c1-9-18-13-7-6-10(8-14(13)19-9)16(22)20-12-5-3-2-4-11(12)15(17)21/h2-8H,1H3,(H2,17,21)(H,18,19)(H,20,22)
InChIKeyOTGYRILUOYZDLE-UHFFFAOYSA-N
XLogP2.22
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-carbamoylphenyl)-2-ethyl-3H-benzimidazole-5-carboxamide
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N-(2-carbamoylphenyl)-1,3-benzoxazole-6-carboxamide
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N-(2-carbamoylphenyl)-2-oxo-3H-1,3-benzoxazole-5-carboxamide
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2-[(4-hydroxybenzoyl)amino]benzamide
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2-methyl-N-propyl-3H-benzimidazole-5-carboxamide
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N-(2-hydroxyethyl)-2-methyl-3H-benzimidazole-5-carboxamide
CID 70877342
N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-6-carboxamide
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N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-2-methyl-3H-benzimidazole-5-carboxamide
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N-(2-carbamoylphenyl)-4-methyl-3,5-dinitrobenzamide
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N-[N'-(2-methyl-3H-benzimidazol-5-yl)carbamimidoyl]benzamide
CID 142011119

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-2-methyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-2-methyl-3H-benzimidazole-5-carboxamide (CID 110692517) is N-(2-carbamoylphenyl)-2-methyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-2-methyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-2-methyl-3H-benzimidazole-5-carboxamide is Cc1nc2ccc(C(=O)Nc3ccccc3C(N)=O)cc2[nH]1.
What is the InChIKey of N-(2-carbamoylphenyl)-2-methyl-3H-benzimidazole-5-carboxamide?
The InChIKey is OTGYRILUOYZDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-9-18-13-7-6-10(8-14(13)19-9)16(22)20-12-5-3-2-4-11(12)15(17)21/h2-8H,1H3,(H2,17,21)(H,18,19)(H,20,22).
What are the key properties of N-(2-carbamoylphenyl)-2-methyl-3H-benzimidazole-5-carboxamide?
N-(2-carbamoylphenyl)-2-methyl-3H-benzimidazole-5-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-2-methyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110692517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).