2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-hexan-3-yl-3H-benzimidazole-5-carboxamide

C27H27FN4O2 — CID 71169857

IUPAC2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-hexan-3-yl-3H-benzimidazole-5-carboxamide
SMILESCCCC(CC)NC(=O)c1ccc2nc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)[nH]c2c1
InChIInChI=1S/C27H27FN4O2/c1-3-5-21(4-2)29-27(34)19-10-15-23-24(16-19)32-25(31-23)17-8-13-22(14-9-17)30-26(33)18-6-11-20(28)12-7-18/h6-16,21H,3-5H2,1-2H3,(H,29,34)(H,30,33)(H,31,32)
InChIKeyCVSHAECATYXCKO-UHFFFAOYSA-N
MW458.54 g/mol
LogP5.93
Rot. Bonds8

About 2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-hexan-3-yl-3H-benzimidazole-5-carboxamide

2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-hexan-3-yl-3H-benzimidazole-5-carboxamide (PubChem CID 71169857) has the molecular formula C27H27FN4O2 and a molecular weight of 458.54 g/mol. Its IUPAC name is 2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-hexan-3-yl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-hexan-3-yl-3H-benzimidazole-5-carboxamide
PubChem CID71169857
Molecular FormulaC27H27FN4O2
Molecular Weight458.54 g/mol
Exact Mass458.21
IUPAC Name2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-hexan-3-yl-3H-benzimidazole-5-carboxamide
SMILESCCCC(CC)NC(=O)c1ccc2nc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)[nH]c2c1
InChIInChI=1S/C27H27FN4O2/c1-3-5-21(4-2)29-27(34)19-10-15-23-24(16-19)32-25(31-23)17-8-13-22(14-9-17)30-26(33)18-6-11-20(28)12-7-18/h6-16,21H,3-5H2,1-2H3,(H,29,34)(H,30,33)(H,31,32)
InChIKeyCVSHAECATYXCKO-UHFFFAOYSA-N
XLogP5.93
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.54
LogP ≤ 55.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-octan-3-yl-3H-benzimidazole-5-carboxamide
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N-(4-fluorophenyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 20740081
methyl N-[4-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]carbamate
CID 155944894
N-[4-(dimethylamino)phenyl]-2-[4-[[4-(dimethylamino)phenyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
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N-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-2-[4-(dimethylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 67112793
N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-4-(propanoylamino)benzamide
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2-[4-(2-bicyclo[2.2.2]octanylcarbamoyl)phenyl]-N-(4-fluorophenyl)-3H-benzimidazole-5-carboxamide
CID 58953911
1-ethyl-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]benzotriazole-5-carboxamide
CID 60516536
methyl 4-[[4-[6-[(4-methoxycarbonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoate
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2-[4-(cyclopentanecarbonylamino)phenyl]-N-heptan-2-yl-3H-benzimidazole-5-carboxamide
CID 71169861
ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 142812938
4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-hexan-3-yl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-hexan-3-yl-3H-benzimidazole-5-carboxamide (CID 71169857) is 2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-hexan-3-yl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-hexan-3-yl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-hexan-3-yl-3H-benzimidazole-5-carboxamide is CCCC(CC)NC(=O)c1ccc2nc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-hexan-3-yl-3H-benzimidazole-5-carboxamide?
The InChIKey is CVSHAECATYXCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O2/c1-3-5-21(4-2)29-27(34)19-10-15-23-24(16-19)32-25(31-23)17-8-13-22(14-9-17)30-26(33)18-6-11-20(28)12-7-18/h6-16,21H,3-5H2,1-2H3,(H,29,34)(H,30,33)(H,31,32).
What are the key properties of 2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-hexan-3-yl-3H-benzimidazole-5-carboxamide?
2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-hexan-3-yl-3H-benzimidazole-5-carboxamide has a molecular weight of 458.54 g/mol, XLogP of 5.93, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorobenzoyl)amino]phenyl]-N-hexan-3-yl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 71169857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).