[2-[(4-phenoxybenzoyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate

C24H18N6O4 — CID 89120574

IUPAC[2-[(4-phenoxybenzoyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate
SMILESO=C(Nc1ncc[nH]1)Oc1cccc2[nH]c(NC(=O)c3ccc(Oc4ccccc4)cc3)nc12
InChIInChI=1S/C24H18N6O4/c31-21(15-9-11-17(12-10-15)33-16-5-2-1-3-6-16)29-23-27-18-7-4-8-19(20(18)28-23)34-24(32)30-22-25-13-14-26-22/h1-14H,(H2,25,26,30,32)(H2,27,28,29,31)
InChIKeyNJMVNSSDQDTETI-UHFFFAOYSA-N
MW454.45 g/mol
LogP4.94
Rot. Bonds6

About [2-[(4-phenoxybenzoyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate

[2-[(4-phenoxybenzoyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate (PubChem CID 89120574) has the molecular formula C24H18N6O4 and a molecular weight of 454.45 g/mol. Its IUPAC name is [2-[(4-phenoxybenzoyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate.

Molecular Properties

Compound Name[2-[(4-phenoxybenzoyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate
PubChem CID89120574
Molecular FormulaC24H18N6O4
Molecular Weight454.45 g/mol
Exact Mass454.14
IUPAC Name[2-[(4-phenoxybenzoyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate
SMILESO=C(Nc1ncc[nH]1)Oc1cccc2[nH]c(NC(=O)c3ccc(Oc4ccccc4)cc3)nc12
InChIInChI=1S/C24H18N6O4/c31-21(15-9-11-17(12-10-15)33-16-5-2-1-3-6-16)29-23-27-18-7-4-8-19(20(18)28-23)34-24(32)30-22-25-13-14-26-22/h1-14H,(H2,25,26,30,32)(H2,27,28,29,31)
InChIKeyNJMVNSSDQDTETI-UHFFFAOYSA-N
XLogP4.94
TPSA134.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.45
LogP ≤ 54.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate
CID 89120566
2-[(6,7-dimethoxynaphthalene-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58724408
2-[(2-chlorobenzoyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 11858230
N-(1H-benzimidazol-2-yl)-4-pyridin-4-yloxybenzamide
CID 11771861
(6,7-dimethoxyisoquinolin-3-yl) N-[4-(1H-imidazol-2-ylcarbamoyl)-1H-benzimidazol-2-yl]carbamate
CID 70942142
N-(1H-imidazol-2-yl)-2-[(5-phenylmethoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxamide
CID 58026672
2-[(3-fluorobenzoyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 11858322
N-[5-chloro-4-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridin-3-yloxybenzamide
CID 11189687
N-(1H-imidazol-2-yl)-2-[[6-(4-methoxyphenyl)pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxamide
CID 67891546
2-[(4-fluorobenzoyl)amino]-1H-benzimidazole-4-carboxylic acid
CID 68968407
4-phenyl-N-(4-phenyl-1H-benzimidazol-2-yl)benzamide
CID 21449966
6-[[4-(1H-imidazol-2-ylcarbamoyl)-1H-benzimidazol-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 140508384

Frequently Asked Questions

What is the IUPAC name of [2-[(4-phenoxybenzoyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate?
The IUPAC name of [2-[(4-phenoxybenzoyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate (CID 89120574) is [2-[(4-phenoxybenzoyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate.
What is the SMILES notation for [2-[(4-phenoxybenzoyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate?
The canonical SMILES for [2-[(4-phenoxybenzoyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate is O=C(Nc1ncc[nH]1)Oc1cccc2[nH]c(NC(=O)c3ccc(Oc4ccccc4)cc3)nc12.
What is the InChIKey of [2-[(4-phenoxybenzoyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate?
The InChIKey is NJMVNSSDQDTETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O4/c31-21(15-9-11-17(12-10-15)33-16-5-2-1-3-6-16)29-23-27-18-7-4-8-19(20(18)28-23)34-24(32)30-22-25-13-14-26-22/h1-14H,(H2,25,26,30,32)(H2,27,28,29,31).
What are the key properties of [2-[(4-phenoxybenzoyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate?
[2-[(4-phenoxybenzoyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate has a molecular weight of 454.45 g/mol, XLogP of 4.94, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-phenoxybenzoyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate is sourced from PubChem (CID 89120574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).