N-(1H-imidazol-2-yl)-2-(isoquinolin-3-ylamino)-1H-benzimidazole-4-carboxamide

C20H15N7O — CID 11857394

IUPACN-(1H-imidazol-2-yl)-2-(isoquinolin-3-ylamino)-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1ncc[nH]1)c1cccc2[nH]c(Nc3cc4ccccc4cn3)nc12
InChIInChI=1S/C20H15N7O/c28-18(27-19-21-8-9-22-19)14-6-3-7-15-17(14)26-20(24-15)25-16-10-12-4-1-2-5-13(12)11-23-16/h1-11H,(H2,21,22,27,28)(H2,23,24,25,26)
InChIKeyBCQWSULEBBKAMJ-UHFFFAOYSA-N
MW369.39 g/mol
LogP3.83
Rot. Bonds4

About N-(1H-imidazol-2-yl)-2-(isoquinolin-3-ylamino)-1H-benzimidazole-4-carboxamide

N-(1H-imidazol-2-yl)-2-(isoquinolin-3-ylamino)-1H-benzimidazole-4-carboxamide (PubChem CID 11857394) has the molecular formula C20H15N7O and a molecular weight of 369.39 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-2-(isoquinolin-3-ylamino)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-2-(isoquinolin-3-ylamino)-1H-benzimidazole-4-carboxamide
PubChem CID11857394
Molecular FormulaC20H15N7O
Molecular Weight369.39 g/mol
Exact Mass369.13
IUPAC NameN-(1H-imidazol-2-yl)-2-(isoquinolin-3-ylamino)-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1ncc[nH]1)c1cccc2[nH]c(Nc3cc4ccccc4cn3)nc12
InChIInChI=1S/C20H15N7O/c28-18(27-19-21-8-9-22-19)14-6-3-7-15-17(14)26-20(24-15)25-16-10-12-4-1-2-5-13(12)11-23-16/h1-11H,(H2,21,22,27,28)(H2,23,24,25,26)
InChIKeyBCQWSULEBBKAMJ-UHFFFAOYSA-N
XLogP3.83
TPSA111.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chlorobenzoyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 11858230
2-[(3-fluorobenzoyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 11858322
N-[4-(1H-imidazol-2-ylcarbamoyl)-6-phenyl-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide
CID 58026405
N-(1H-imidazol-2-yl)-2-[(5-phenylmethoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxamide
CID 58026672
(3-amino-3-oxopropyl) 2-(isoquinolin-3-ylamino)-1H-benzimidazole-4-carboxylate
CID 66940113
2-[(6,7-dimethoxynaphthalene-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58724408
2-[[hydroxy-[5-[(1R)-1-phenylethoxy]-3-pyridinyl]methyl]amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 163620870
(6,7-dimethoxyisoquinolin-3-yl) N-[4-(1H-imidazol-2-ylcarbamoyl)-1H-benzimidazol-2-yl]carbamate
CID 70942142
1-butyl-N-[4-(1H-imidazol-2-ylcarbamoyl)-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide
CID 58026680
N-[4-(1H-imidazol-2-ylcarbamoyl)-6-phenylmethoxy-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide
CID 58026502
N-(1H-imidazol-2-yl)-2-[[6-(4-methoxyphenyl)pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxamide
CID 67891546
2-[(1,5-dimethylindole-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58026542

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-2-(isoquinolin-3-ylamino)-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(1H-imidazol-2-yl)-2-(isoquinolin-3-ylamino)-1H-benzimidazole-4-carboxamide (CID 11857394) is N-(1H-imidazol-2-yl)-2-(isoquinolin-3-ylamino)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-2-(isoquinolin-3-ylamino)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-2-(isoquinolin-3-ylamino)-1H-benzimidazole-4-carboxamide is O=C(Nc1ncc[nH]1)c1cccc2[nH]c(Nc3cc4ccccc4cn3)nc12.
What is the InChIKey of N-(1H-imidazol-2-yl)-2-(isoquinolin-3-ylamino)-1H-benzimidazole-4-carboxamide?
The InChIKey is BCQWSULEBBKAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7O/c28-18(27-19-21-8-9-22-19)14-6-3-7-15-17(14)26-20(24-15)25-16-10-12-4-1-2-5-13(12)11-23-16/h1-11H,(H2,21,22,27,28)(H2,23,24,25,26).
What are the key properties of N-(1H-imidazol-2-yl)-2-(isoquinolin-3-ylamino)-1H-benzimidazole-4-carboxamide?
N-(1H-imidazol-2-yl)-2-(isoquinolin-3-ylamino)-1H-benzimidazole-4-carboxamide has a molecular weight of 369.39 g/mol, XLogP of 3.83, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-2-(isoquinolin-3-ylamino)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 11857394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).