N-[(2-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide

C23H18N6O — CID 171672740

IUPACN-[(2-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1ccccc1-n1cccn1)c1ccc2nc(-c3ccncc3)[nH]c2c1
InChIInChI=1S/C23H18N6O/c30-23(25-15-18-4-1-2-5-21(18)29-13-3-10-26-29)17-6-7-19-20(14-17)28-22(27-19)16-8-11-24-12-9-16/h1-14H,15H2,(H,25,30)(H,27,28)
InChIKeyCCKDQXIOMOCKOL-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.74
Rot. Bonds5

About N-[(2-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide

N-[(2-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide (PubChem CID 171672740) has the molecular formula C23H18N6O and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[(2-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
PubChem CID171672740
Molecular FormulaC23H18N6O
Molecular Weight394.44 g/mol
Exact Mass394.15
IUPAC NameN-[(2-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1ccccc1-n1cccn1)c1ccc2nc(-c3ccncc3)[nH]c2c1
InChIInChI=1S/C23H18N6O/c30-23(25-15-18-4-1-2-5-21(18)29-13-3-10-26-29)17-6-7-19-20(14-17)28-22(27-19)16-8-11-24-12-9-16/h1-14H,15H2,(H,25,30)(H,27,28)
InChIKeyCCKDQXIOMOCKOL-UHFFFAOYSA-N
XLogP3.74
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110766091
2-pyridin-4-yl-3H-benzimidazole-5-carboxylic acid
CID 2771800
N-(2-pyridin-4-yl-3H-benzimidazol-5-yl)benzamide
CID 53371216
2-phenyl-3H-benzimidazole-5-carbohydrazide
CID 17010632
N-benzyl-2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 71717004
6-(dimethylamino)-N-[(2-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 51095820
N-[(2S)-1-amino-1-oxo-4-phenylbutan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 59879984
N-(2-acetamidoethyl)-2-phenyl-3H-benzimidazole-5-carboxamide
CID 110766096
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110692469
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 18685984
N-[1-(2-fluoroethylamino)-1-oxo-3-phenylsulfanylpropan-2-yl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 18685925
methyl 3-(benzenesulfinyl)-2-[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]propanoate
CID 18685918

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(2-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide (CID 171672740) is N-[(2-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(2-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(2-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide is O=C(NCc1ccccc1-n1cccn1)c1ccc2nc(-c3ccncc3)[nH]c2c1.
What is the InChIKey of N-[(2-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide?
The InChIKey is CCKDQXIOMOCKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O/c30-23(25-15-18-4-1-2-5-21(18)29-13-3-10-26-29)17-6-7-19-20(14-17)28-22(27-19)16-8-11-24-12-9-16/h1-14H,15H2,(H,25,30)(H,27,28).
What are the key properties of N-[(2-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide?
N-[(2-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 171672740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).