1-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzimidazole-5-carboxamide

C13H13N5O — CID 110469081

IUPAC1-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzimidazole-5-carboxamide
SMILESCc1cc(NC(=O)c2ccc3c(c2)ncn3C)n[nH]1
InChIInChI=1S/C13H13N5O/c1-8-5-12(17-16-8)15-13(19)9-3-4-11-10(6-9)14-7-18(11)2/h3-7H,1-2H3,(H2,15,16,17,19)
InChIKeyOQYGFFOENGWKFT-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.86
Rot. Bonds2

About 1-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzimidazole-5-carboxamide

1-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzimidazole-5-carboxamide (PubChem CID 110469081) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzimidazole-5-carboxamide
PubChem CID110469081
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name1-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzimidazole-5-carboxamide
SMILESCc1cc(NC(=O)c2ccc3c(c2)ncn3C)n[nH]1
InChIInChI=1S/C13H13N5O/c1-8-5-12(17-16-8)15-13(19)9-3-4-11-10(6-9)14-7-18(11)2/h3-7H,1-2H3,(H2,15,16,17,19)
InChIKeyOQYGFFOENGWKFT-UHFFFAOYSA-N
XLogP1.86
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 100775867
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1-(1-methylbenzimidazol-5-yl)ethanone
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CID 55031730
N-cyclopropyl-1-methylbenzimidazole-5-carboxamide
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3-amino-4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63819252
N-(5-methyl-1H-pyrazol-3-yl)-4-pyrrol-1-ylbenzamide
CID 47255659
N-cyclopentyl-1-methylbenzimidazole-5-carboxamide
CID 90980622
2-hydroxy-2-methyl-1-(1-methylbenzimidazol-5-yl)propan-1-one
CID 116920419
1-methyl-N-(4-pyrrolidin-1-ylphenyl)benzimidazole-5-carboxamide
CID 110692640
1-methyl-N-[2-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide
CID 110692630

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzimidazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzimidazole-5-carboxamide (CID 110469081) is 1-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzimidazole-5-carboxamide is Cc1cc(NC(=O)c2ccc3c(c2)ncn3C)n[nH]1.
What is the InChIKey of 1-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzimidazole-5-carboxamide?
The InChIKey is OQYGFFOENGWKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-8-5-12(17-16-8)15-13(19)9-3-4-11-10(6-9)14-7-18(11)2/h3-7H,1-2H3,(H2,15,16,17,19).
What are the key properties of 1-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzimidazole-5-carboxamide?
1-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzimidazole-5-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzimidazole-5-carboxamide is sourced from PubChem (CID 110469081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).