[2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate

C23H17N7O4 — CID 89120566

IUPAC[2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate
SMILESO=C(Nc1ncc[nH]1)Oc1cccc2[nH]c(NC(=O)c3cccc(Oc4ccccc4)n3)nc12
InChIInChI=1S/C23H17N7O4/c31-20(16-9-5-11-18(26-16)33-14-6-2-1-3-7-14)29-22-27-15-8-4-10-17(19(15)28-22)34-23(32)30-21-24-12-13-25-21/h1-13H,(H2,24,25,30,32)(H2,27,28,29,31)
InChIKeyGEAUKEXGUOSULB-UHFFFAOYSA-N
MW455.43 g/mol
LogP4.34
Rot. Bonds6

About [2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate

[2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate (PubChem CID 89120566) has the molecular formula C23H17N7O4 and a molecular weight of 455.43 g/mol. Its IUPAC name is [2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate.

Molecular Properties

Compound Name[2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate
PubChem CID89120566
Molecular FormulaC23H17N7O4
Molecular Weight455.43 g/mol
Exact Mass455.13
IUPAC Name[2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate
SMILESO=C(Nc1ncc[nH]1)Oc1cccc2[nH]c(NC(=O)c3cccc(Oc4ccccc4)n3)nc12
InChIInChI=1S/C23H17N7O4/c31-20(16-9-5-11-18(26-16)33-14-6-2-1-3-7-14)29-22-27-15-8-4-10-17(19(15)28-22)34-23(32)30-21-24-12-13-25-21/h1-13H,(H2,24,25,30,32)(H2,27,28,29,31)
InChIKeyGEAUKEXGUOSULB-UHFFFAOYSA-N
XLogP4.34
TPSA146.91 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.43
LogP ≤ 54.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze [2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(4-phenoxybenzoyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate
CID 89120574
2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxylic acid
CID 68970786
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
N-(1H-imidazol-2-yl)-2-[(5-phenylmethoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxamide
CID 58026672
(6,7-dimethoxyisoquinolin-3-yl) N-[4-(1H-imidazol-2-ylcarbamoyl)-1H-benzimidazol-2-yl]carbamate
CID 70942142
2-[(6,7-dimethoxynaphthalene-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58724408
N-(1H-imidazol-2-yl)-2-[[6-[2-[4-(methylamino)phenyl]ethynyl]pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxamide
CID 143293986
N-[4-(1H-imidazol-2-ylcarbamoyl)-6-phenyl-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide
CID 58026405
N-(1H-imidazol-2-yl)-2-(isoquinolin-3-ylamino)-1H-benzimidazole-4-carboxamide
CID 11857394
N-[4-(1H-imidazol-2-ylcarbamoyl)-1H-benzimidazol-2-yl]-1-methyl-7-(trifluoromethoxy)isoquinoline-3-carboxamide
CID 58026488
N-[4-(1H-imidazol-2-ylcarbamoyl)-1H-benzimidazol-2-yl]-7,8-dihydrocinnoline-3-carboxamide
CID 163436899

Frequently Asked Questions

What is the IUPAC name of [2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate?
The IUPAC name of [2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate (CID 89120566) is [2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate.
What is the SMILES notation for [2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate?
The canonical SMILES for [2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate is O=C(Nc1ncc[nH]1)Oc1cccc2[nH]c(NC(=O)c3cccc(Oc4ccccc4)n3)nc12.
What is the InChIKey of [2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate?
The InChIKey is GEAUKEXGUOSULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N7O4/c31-20(16-9-5-11-18(26-16)33-14-6-2-1-3-7-14)29-22-27-15-8-4-10-17(19(15)28-22)34-23(32)30-21-24-12-13-25-21/h1-13H,(H2,24,25,30,32)(H2,27,28,29,31).
What are the key properties of [2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate?
[2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate has a molecular weight of 455.43 g/mol, XLogP of 4.34, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-phenoxypyridine-2-carbonyl)amino]-1H-benzimidazol-4-yl] N-(1H-imidazol-2-yl)carbamate is sourced from PubChem (CID 89120566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).