1-[6-(benzylcarbamoyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid

C19H15N5O3 — CID 58156060

IUPAC1-[6-(benzylcarbamoyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2nc3ccc(C(=O)NCc4ccccc4)cc3[nH]2)c1
InChIInChI=1S/C19H15N5O3/c25-17(20-9-12-4-2-1-3-5-12)13-6-7-15-16(8-13)23-19(22-15)24-11-14(10-21-24)18(26)27/h1-8,10-11H,9H2,(H,20,25)(H,22,23)(H,26,27)
InChIKeyOZWAGVHXUBLJHH-UHFFFAOYSA-N
MW361.36 g/mol
LogP2.38
Rot. Bonds5

About 1-[6-(benzylcarbamoyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid

1-[6-(benzylcarbamoyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid (PubChem CID 58156060) has the molecular formula C19H15N5O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is 1-[6-(benzylcarbamoyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-(benzylcarbamoyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid
PubChem CID58156060
Molecular FormulaC19H15N5O3
Molecular Weight361.36 g/mol
Exact Mass361.12
IUPAC Name1-[6-(benzylcarbamoyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2nc3ccc(C(=O)NCc4ccccc4)cc3[nH]2)c1
InChIInChI=1S/C19H15N5O3/c25-17(20-9-12-4-2-1-3-5-12)13-6-7-15-16(8-13)23-19(22-15)24-11-14(10-21-24)18(26)27/h1-8,10-11H,9H2,(H,20,25)(H,22,23)(H,26,27)
InChIKeyOZWAGVHXUBLJHH-UHFFFAOYSA-N
XLogP2.38
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 71717004
4-[[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]methyl]benzoic acid
CID 154862991
4-[[[2-(6-fluoro-3-pyridinyl)-3H-benzimidazole-5-carbonyl]amino]methyl]benzoic acid
CID 141342688
1-[5-[(3-carboxyphenyl)methyl]-4-oxo-3H-pyrrolo[3,2-d]pyrimidin-2-yl]pyrazole-4-carboxylic acid
CID 157022869
2-ethyl-N-[(4-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110765518
N-benzyl-2-[2-(6-carbamimidoyl-1H-benzimidazol-2-yl)ethyl]-3H-benzimidazole-5-carboxamide
CID 54430796
N-benzylquinazoline-6-carboxamide
CID 141061658
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110692469
2-chloro-N-(pyridin-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 100787093
1-[6-chloro-5-(propanoylamino)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid
CID 66937339
N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
4-(benzamidomethyl)benzoic acid
CID 10879683

Frequently Asked Questions

What is the IUPAC name of 1-[6-(benzylcarbamoyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[6-(benzylcarbamoyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid (CID 58156060) is 1-[6-(benzylcarbamoyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[6-(benzylcarbamoyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[6-(benzylcarbamoyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2nc3ccc(C(=O)NCc4ccccc4)cc3[nH]2)c1.
What is the InChIKey of 1-[6-(benzylcarbamoyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid?
The InChIKey is OZWAGVHXUBLJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3/c25-17(20-9-12-4-2-1-3-5-12)13-6-7-15-16(8-13)23-19(22-15)24-11-14(10-21-24)18(26)27/h1-8,10-11H,9H2,(H,20,25)(H,22,23)(H,26,27).
What are the key properties of 1-[6-(benzylcarbamoyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid?
1-[6-(benzylcarbamoyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid has a molecular weight of 361.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(benzylcarbamoyl)-1H-benzimidazol-2-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 58156060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).