N-(1H-imidazol-2-yl)-2-[(5-phenylmethoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxamide

C24H19N7O3 — CID 58026672

IUPACN-(1H-imidazol-2-yl)-2-[(5-phenylmethoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1nc2c(C(=O)Nc3ncc[nH]3)cccc2[nH]1)c1ccc(OCc2ccccc2)cn1
InChIInChI=1S/C24H19N7O3/c32-21(30-23-25-11-12-26-23)17-7-4-8-18-20(17)29-24(28-18)31-22(33)19-10-9-16(13-27-19)34-14-15-5-2-1-3-6-15/h1-13H,14H2,(H2,25,26,30,32)(H2,28,29,31,33)
InChIKeyJSANTJQFQYNTQH-UHFFFAOYSA-N
MW453.46 g/mol
LogP3.76
Rot. Bonds7

About N-(1H-imidazol-2-yl)-2-[(5-phenylmethoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxamide

N-(1H-imidazol-2-yl)-2-[(5-phenylmethoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxamide (PubChem CID 58026672) has the molecular formula C24H19N7O3 and a molecular weight of 453.46 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-2-[(5-phenylmethoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-2-[(5-phenylmethoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxamide
PubChem CID58026672
Molecular FormulaC24H19N7O3
Molecular Weight453.46 g/mol
Exact Mass453.15
IUPAC NameN-(1H-imidazol-2-yl)-2-[(5-phenylmethoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1nc2c(C(=O)Nc3ncc[nH]3)cccc2[nH]1)c1ccc(OCc2ccccc2)cn1
InChIInChI=1S/C24H19N7O3/c32-21(30-23-25-11-12-26-23)17-7-4-8-18-20(17)29-24(28-18)31-22(33)19-10-9-16(13-27-19)34-14-15-5-2-1-3-6-15/h1-13H,14H2,(H2,25,26,30,32)(H2,28,29,31,33)
InChIKeyJSANTJQFQYNTQH-UHFFFAOYSA-N
XLogP3.76
TPSA137.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.46
LogP ≤ 53.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1H-imidazol-2-ylcarbamoyl)-6-phenylmethoxy-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide
CID 58026502
2-[(2-chlorobenzoyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 11858230
N-(1H-imidazol-2-yl)-2-[[6-(4-methoxyphenyl)pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxamide
CID 67891546
2-(1H-imidazol-2-yl)-1-[2-[2-oxo-2-(5-phenylmethoxy-2-pyridinyl)ethyl]-1H-benzimidazol-4-yl]ethanone
CID 58190998
N-(1H-imidazol-2-yl)-2-(isoquinolin-3-ylamino)-1H-benzimidazole-4-carboxamide
CID 11857394
N-(1H-imidazol-2-yl)-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112524377
N-[4-(1H-imidazol-2-ylcarbamoyl)-6-phenyl-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide
CID 58026405
2-[(3-fluorobenzoyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 11858322
1-butyl-N-[4-(1H-imidazol-2-ylcarbamoyl)-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide
CID 58026680
2-[(6,7-dimethoxynaphthalene-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58724408
N-[4-[(5-benzyl-1H-imidazol-2-yl)carbamoyl]-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide
CID 58026529
N-[4-(1H-imidazol-2-ylcarbamoyl)-1H-benzimidazol-2-yl]-1-methyl-7-(trifluoromethoxy)isoquinoline-3-carboxamide
CID 58026488

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-2-[(5-phenylmethoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(1H-imidazol-2-yl)-2-[(5-phenylmethoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxamide (CID 58026672) is N-(1H-imidazol-2-yl)-2-[(5-phenylmethoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-2-[(5-phenylmethoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-2-[(5-phenylmethoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxamide is O=C(Nc1nc2c(C(=O)Nc3ncc[nH]3)cccc2[nH]1)c1ccc(OCc2ccccc2)cn1.
What is the InChIKey of N-(1H-imidazol-2-yl)-2-[(5-phenylmethoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxamide?
The InChIKey is JSANTJQFQYNTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N7O3/c32-21(30-23-25-11-12-26-23)17-7-4-8-18-20(17)29-24(28-18)31-22(33)19-10-9-16(13-27-19)34-14-15-5-2-1-3-6-15/h1-13H,14H2,(H2,25,26,30,32)(H2,28,29,31,33).
What are the key properties of N-(1H-imidazol-2-yl)-2-[(5-phenylmethoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxamide?
N-(1H-imidazol-2-yl)-2-[(5-phenylmethoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxamide has a molecular weight of 453.46 g/mol, XLogP of 3.76, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-2-[(5-phenylmethoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 58026672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).