2-[(3-fluorobenzoyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide

C18H13FN6O2 — CID 11858322

IUPAC2-[(3-fluorobenzoyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1nc2c(C(=O)Nc3ncc[nH]3)cccc2[nH]1)c1cccc(F)c1
InChIInChI=1S/C18H13FN6O2/c19-11-4-1-3-10(9-11)15(26)24-18-22-13-6-2-5-12(14(13)23-18)16(27)25-17-20-7-8-21-17/h1-9H,(H2,20,21,25,27)(H2,22,23,24,26)
InChIKeyYQZGCJOCTVTNGB-UHFFFAOYSA-N
MW364.34 g/mol
LogP2.93
Rot. Bonds4

About 2-[(3-fluorobenzoyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide

2-[(3-fluorobenzoyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 11858322) has the molecular formula C18H13FN6O2 and a molecular weight of 364.34 g/mol. Its IUPAC name is 2-[(3-fluorobenzoyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3-fluorobenzoyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
PubChem CID11858322
Molecular FormulaC18H13FN6O2
Molecular Weight364.34 g/mol
Exact Mass364.11
IUPAC Name2-[(3-fluorobenzoyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1nc2c(C(=O)Nc3ncc[nH]3)cccc2[nH]1)c1cccc(F)c1
InChIInChI=1S/C18H13FN6O2/c19-11-4-1-3-10(9-11)15(26)24-18-22-13-6-2-5-12(14(13)23-18)16(27)25-17-20-7-8-21-17/h1-9H,(H2,20,21,25,27)(H2,22,23,24,26)
InChIKeyYQZGCJOCTVTNGB-UHFFFAOYSA-N
XLogP2.93
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorobenzoyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 11858230
2-[(6,7-dimethoxynaphthalene-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58724408
6-[[4-(1H-imidazol-2-ylcarbamoyl)-1H-benzimidazol-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 140508384
N-(1H-imidazol-2-yl)-2-(isoquinolin-3-ylamino)-1H-benzimidazole-4-carboxamide
CID 11857394
2-[(1,5-dimethylindole-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 58026542
2-[(4-fluorobenzoyl)amino]-1H-benzimidazole-4-carboxylic acid
CID 68968407
2-[(3-cyclohexylpyridine-2-carbonyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide
CID 67891553
N-[4-(1H-imidazol-2-ylcarbamoyl)-1H-benzimidazol-2-yl]-7,8-dihydrocinnoline-3-carboxamide
CID 163436899
N-(1H-imidazol-2-yl)-2-[[6-(4-methoxyphenyl)pyridine-2-carbonyl]amino]-1H-benzimidazole-4-carboxamide
CID 67891546
(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-(1H-imidazol-2-yl)-2-[(5-phenylmethoxypyridine-2-carbonyl)amino]-1H-benzimidazole-4-carboxamide
CID 58026672

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorobenzoyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[(3-fluorobenzoyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide (CID 11858322) is 2-[(3-fluorobenzoyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[(3-fluorobenzoyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[(3-fluorobenzoyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide is O=C(Nc1nc2c(C(=O)Nc3ncc[nH]3)cccc2[nH]1)c1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorobenzoyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is YQZGCJOCTVTNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6O2/c19-11-4-1-3-10(9-11)15(26)24-18-22-13-6-2-5-12(14(13)23-18)16(27)25-17-20-7-8-21-17/h1-9H,(H2,20,21,25,27)(H2,22,23,24,26).
What are the key properties of 2-[(3-fluorobenzoyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide?
2-[(3-fluorobenzoyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 364.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorobenzoyl)amino]-N-(1H-imidazol-2-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 11858322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).