N-[4-[2-(2-chloro-6-fluorophenyl)-4-cyano-1H-imidazol-5-yl]phenyl]benzamide

C23H14ClFN4O — CID 68791286

IUPACN-[4-[2-(2-chloro-6-fluorophenyl)-4-cyano-1H-imidazol-5-yl]phenyl]benzamide
SMILESN#Cc1nc(-c2c(F)cccc2Cl)[nH]c1-c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H14ClFN4O/c24-17-7-4-8-18(25)20(17)22-28-19(13-26)21(29-22)14-9-11-16(12-10-14)27-23(30)15-5-2-1-3-6-15/h1-12H,(H,27,30)(H,28,29)
InChIKeyGIXDPUJEZSVLBV-UHFFFAOYSA-N
MW416.84 g/mol
LogP5.66
Rot. Bonds4

About N-[4-[2-(2-chloro-6-fluorophenyl)-4-cyano-1H-imidazol-5-yl]phenyl]benzamide

N-[4-[2-(2-chloro-6-fluorophenyl)-4-cyano-1H-imidazol-5-yl]phenyl]benzamide (PubChem CID 68791286) has the molecular formula C23H14ClFN4O and a molecular weight of 416.84 g/mol. Its IUPAC name is N-[4-[2-(2-chloro-6-fluorophenyl)-4-cyano-1H-imidazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-(2-chloro-6-fluorophenyl)-4-cyano-1H-imidazol-5-yl]phenyl]benzamide
PubChem CID68791286
Molecular FormulaC23H14ClFN4O
Molecular Weight416.84 g/mol
Exact Mass416.08
IUPAC NameN-[4-[2-(2-chloro-6-fluorophenyl)-4-cyano-1H-imidazol-5-yl]phenyl]benzamide
SMILESN#Cc1nc(-c2c(F)cccc2Cl)[nH]c1-c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H14ClFN4O/c24-17-7-4-8-18(25)20(17)22-28-19(13-26)21(29-22)14-9-11-16(12-10-14)27-23(30)15-5-2-1-3-6-15/h1-12H,(H,27,30)(H,28,29)
InChIKeyGIXDPUJEZSVLBV-UHFFFAOYSA-N
XLogP5.66
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.84
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-butan-2-ylsulfanylpyrimidin-5-yl)-2-(2-chloro-6-fluorophenyl)-1H-imidazole-4-carbonitrile
CID 68793357
N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide
CID 20694943
2-(2,6-dichlorophenyl)-N-(2-fluorophenyl)-3H-benzimidazole-5-carboxamide
CID 66965567
2-(2-chloro-6-fluorophenyl)-5-[6-[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-1H-imidazole-4-carbonitrile
CID 68789449
2-(2-chloro-6-fluorophenyl)-N-(6-iodo-1H-benzimidazol-2-yl)-7-methyl-3H-benzimidazole-5-carboxamide
CID 67380503
3-bromo-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 54857993
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 2479214
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide
CID 20695031
2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 87217495
2-(2-chloro-6-fluorophenyl)-5-[(3E)-hexa-1,3,5-trien-3-yl]-1H-imidazole-4-carbonitrile
CID 91354782
4-chloro-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]benzamide
CID 164517199
2-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 25066986

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-chloro-6-fluorophenyl)-4-cyano-1H-imidazol-5-yl]phenyl]benzamide?
The IUPAC name of N-[4-[2-(2-chloro-6-fluorophenyl)-4-cyano-1H-imidazol-5-yl]phenyl]benzamide (CID 68791286) is N-[4-[2-(2-chloro-6-fluorophenyl)-4-cyano-1H-imidazol-5-yl]phenyl]benzamide.
What is the SMILES notation for N-[4-[2-(2-chloro-6-fluorophenyl)-4-cyano-1H-imidazol-5-yl]phenyl]benzamide?
The canonical SMILES for N-[4-[2-(2-chloro-6-fluorophenyl)-4-cyano-1H-imidazol-5-yl]phenyl]benzamide is N#Cc1nc(-c2c(F)cccc2Cl)[nH]c1-c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-(2-chloro-6-fluorophenyl)-4-cyano-1H-imidazol-5-yl]phenyl]benzamide?
The InChIKey is GIXDPUJEZSVLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClFN4O/c24-17-7-4-8-18(25)20(17)22-28-19(13-26)21(29-22)14-9-11-16(12-10-14)27-23(30)15-5-2-1-3-6-15/h1-12H,(H,27,30)(H,28,29).
What are the key properties of N-[4-[2-(2-chloro-6-fluorophenyl)-4-cyano-1H-imidazol-5-yl]phenyl]benzamide?
N-[4-[2-(2-chloro-6-fluorophenyl)-4-cyano-1H-imidazol-5-yl]phenyl]benzamide has a molecular weight of 416.84 g/mol, XLogP of 5.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-chloro-6-fluorophenyl)-4-cyano-1H-imidazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 68791286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).