2-(4-benzamidophenyl)-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide

C26H19N5O2 — CID 10274480

IUPAC2-(4-benzamidophenyl)-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccc(C(=O)Nc4ccccn4)cc3[nH]2)cc1)c1ccccc1
InChIInChI=1S/C26H19N5O2/c32-25(18-6-2-1-3-7-18)28-20-12-9-17(10-13-20)24-29-21-14-11-19(16-22(21)30-24)26(33)31-23-8-4-5-15-27-23/h1-16H,(H,28,32)(H,29,30)(H,27,31,33)
InChIKeyNZJYTLLDSVHPHZ-UHFFFAOYSA-N
MW433.47 g/mol
LogP5.13
Rot. Bonds5

About 2-(4-benzamidophenyl)-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide

2-(4-benzamidophenyl)-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide (PubChem CID 10274480) has the molecular formula C26H19N5O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is 2-(4-benzamidophenyl)-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-benzamidophenyl)-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide
PubChem CID10274480
Molecular FormulaC26H19N5O2
Molecular Weight433.47 g/mol
Exact Mass433.15
IUPAC Name2-(4-benzamidophenyl)-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccc(C(=O)Nc4ccccn4)cc3[nH]2)cc1)c1ccccc1
InChIInChI=1S/C26H19N5O2/c32-25(18-6-2-1-3-7-18)28-20-12-9-17(10-13-20)24-29-21-14-11-19(16-22(21)30-24)26(33)31-23-8-4-5-15-27-23/h1-16H,(H,28,32)(H,29,30)(H,27,31,33)
InChIKeyNZJYTLLDSVHPHZ-UHFFFAOYSA-N
XLogP5.13
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.47
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Dabigatran
CID 216210
Dabigatran Etexilate
CID 135565674
ethyl N-[(2-{[(4-{N'-[(hexyloxy)carbonyl]carbamimidoyl}phenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alaninate
CID 9578572
ethyl 3-(2-((4-(N-(hexyloxycarbonyl)carbamimidoyl)phenylamino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate
CID 6445226
Dabigatran Ethyl Ester
CID 446804
IN-1130
CID 11676119
ethyl 3-[[2-[[4-(N'-hexoxycarbonylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
CID 213023
Adibendan
CID 65867
[1-(3-Methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone
CID 3243760
3-(2-(3H-imidazo[4,5-b]pyridin-6-yl)ethynyl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
CID 11625929
6-but-3-enyl-4-[1-methyl-6-(morpholine-4-carbonyl)benzimidazol-4-yl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121335283
N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 748028

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzamidophenyl)-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(4-benzamidophenyl)-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide (CID 10274480) is 2-(4-benzamidophenyl)-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(4-benzamidophenyl)-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(4-benzamidophenyl)-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide is O=C(Nc1ccc(-c2nc3ccc(C(=O)Nc4ccccn4)cc3[nH]2)cc1)c1ccccc1.
What is the InChIKey of 2-(4-benzamidophenyl)-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide?
The InChIKey is NZJYTLLDSVHPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N5O2/c32-25(18-6-2-1-3-7-18)28-20-12-9-17(10-13-20)24-29-21-14-11-19(16-22(21)30-24)26(33)31-23-8-4-5-15-27-23/h1-16H,(H,28,32)(H,29,30)(H,27,31,33).
What are the key properties of 2-(4-benzamidophenyl)-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide?
2-(4-benzamidophenyl)-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 5.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzamidophenyl)-N-pyridin-2-yl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 10274480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).