2-phenyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide

C20H16N4O — CID 110766091

IUPAC2-phenyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C20H16N4O/c25-20(22-13-16-8-4-5-11-21-16)15-9-10-17-18(12-15)24-19(23-17)14-6-2-1-3-7-14/h1-12H,13H2,(H,22,25)(H,23,24)
InChIKeyDMRNNDYYIPZFMU-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.55
Rot. Bonds4

About 2-phenyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide

2-phenyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 110766091) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-phenyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide
PubChem CID110766091
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name2-phenyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C20H16N4O/c25-20(22-13-16-8-4-5-11-21-16)15-9-10-17-18(12-15)24-19(23-17)14-6-2-1-3-7-14/h1-12H,13H2,(H,22,25)(H,23,24)
InChIKeyDMRNNDYYIPZFMU-UHFFFAOYSA-N
XLogP3.55
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
2-phenyl-3H-benzimidazole-5-carbohydrazide
CID 17010632
N-(2-acetamidoethyl)-2-phenyl-3H-benzimidazole-5-carboxamide
CID 110766096
N-benzyl-2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 71717004
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837
N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide
CID 63716738
1-N-(pyridin-2-ylmethyl)-3-N-sulfanylbenzene-1,3-dicarboxamide
CID 143484238
2,3-dimethyl-N-(pyridin-2-ylmethyl)-1H-indole-5-carboxamide
CID 2576679
N-[3-(dimethylamino)propyl]-2-(2-phenyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxamide
CID 14903288
3-(3,5-difluorophenyl)-N-(pyridin-2-ylmethyl)benzamide
CID 170360781
N-[(2-pyrazol-1-ylphenyl)methyl]-2-pyridin-4-yl-3H-benzimidazole-5-carboxamide
CID 171672740
N-hydroxy-2-(3-phenylphenyl)-3H-benzimidazole-5-carboxamide
CID 122690127

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-phenyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide (CID 110766091) is 2-phenyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-phenyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-phenyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide is O=C(NCc1ccccn1)c1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of 2-phenyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is DMRNNDYYIPZFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c25-20(22-13-16-8-4-5-11-21-16)15-9-10-17-18(12-15)24-19(23-17)14-6-2-1-3-7-14/h1-12H,13H2,(H,22,25)(H,23,24).
What are the key properties of 2-phenyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide?
2-phenyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110766091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).