N,2-dicyclohexyl-2-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]benzimidazol-1-yl]acetamide

C34H36F3N3O — CID 68693949

IUPACN,2-dicyclohexyl-2-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]benzimidazol-1-yl]acetamide
SMILESO=C(NC1CCCCC1)C(C1CCCCC1)n1c(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)nc2ccccc21
InChIInChI=1S/C34H36F3N3O/c35-34(36,37)27-21-19-24(20-22-27)23-15-17-26(18-16-23)32-39-29-13-7-8-14-30(29)40(32)31(25-9-3-1-4-10-25)33(41)38-28-11-5-2-6-12-28/h7-8,13-22,25,28,31H,1-6,9-12H2,(H,38,41)
InChIKeyNKYFOYDQNDGUTR-UHFFFAOYSA-N
MW559.68 g/mol
LogP8.96
Rot. Bonds6

About N,2-dicyclohexyl-2-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]benzimidazol-1-yl]acetamide

N,2-dicyclohexyl-2-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]benzimidazol-1-yl]acetamide (PubChem CID 68693949) has the molecular formula C34H36F3N3O and a molecular weight of 559.68 g/mol. Its IUPAC name is N,2-dicyclohexyl-2-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,2-dicyclohexyl-2-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]benzimidazol-1-yl]acetamide
PubChem CID68693949
Molecular FormulaC34H36F3N3O
Molecular Weight559.68 g/mol
Exact Mass559.28
IUPAC NameN,2-dicyclohexyl-2-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]benzimidazol-1-yl]acetamide
SMILESO=C(NC1CCCCC1)C(C1CCCCC1)n1c(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)nc2ccccc21
InChIInChI=1S/C34H36F3N3O/c35-34(36,37)27-21-19-24(20-22-27)23-15-17-26(18-16-23)32-39-29-13-7-8-14-30(29)40(32)31(25-9-3-1-4-10-25)33(41)38-28-11-5-2-6-12-28/h7-8,13-22,25,28,31H,1-6,9-12H2,(H,38,41)
InChIKeyNKYFOYDQNDGUTR-UHFFFAOYSA-N
XLogP8.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.68
LogP ≤ 58.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 68689707
(2S)-N,2-dicyclohexyl-2-[2-[4-(hydroxymethyl)phenyl]benzimidazol-1-yl]acetamide
CID 25133131
N,2-dicyclohexyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 68694070
(2S)-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-(oxan-4-yl)acetamide
CID 68694608
N,2-dicyclohexyl-2-[2-[4-(1,2,4-triazol-4-yl)phenyl]benzimidazol-1-yl]acetamide;hydron;chloride
CID 68693854
N,2-dicyclohexyl-2-[2-(3-thiophen-2-ylphenyl)benzimidazol-1-yl]acetamide;hydrochloride
CID 68695803
N,2-dicyclohexyl-2-[2-(4-methoxy-3,5-dimethylphenyl)benzimidazol-1-yl]acetamide
CID 68698002
N,2-dicyclohexyl-2-[2-(3-methylsulfonylphenyl)benzimidazol-1-yl]acetamide
CID 68692288
N,2-dicyclohexyl-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide
CID 68694561
N,2-dicyclohexyl-2-[2-(5-methyl-1,2-oxazol-4-yl)benzimidazol-1-yl]acetamide
CID 68693676
N-cyclopentyl-2-(2-cyclopentylbenzimidazol-1-yl)-2-cyclopropylacetamide
CID 53383208
N,2-dicyclohexyl-2-[2-[3-(2H-tetrazol-5-yl)phenyl]benzimidazol-1-yl]acetamide;hydron;chloride
CID 68693887

Frequently Asked Questions

What is the IUPAC name of N,2-dicyclohexyl-2-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]benzimidazol-1-yl]acetamide?
The IUPAC name of N,2-dicyclohexyl-2-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]benzimidazol-1-yl]acetamide (CID 68693949) is N,2-dicyclohexyl-2-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N,2-dicyclohexyl-2-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N,2-dicyclohexyl-2-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]benzimidazol-1-yl]acetamide is O=C(NC1CCCCC1)C(C1CCCCC1)n1c(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)nc2ccccc21.
What is the InChIKey of N,2-dicyclohexyl-2-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]benzimidazol-1-yl]acetamide?
The InChIKey is NKYFOYDQNDGUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36F3N3O/c35-34(36,37)27-21-19-24(20-22-27)23-15-17-26(18-16-23)32-39-29-13-7-8-14-30(29)40(32)31(25-9-3-1-4-10-25)33(41)38-28-11-5-2-6-12-28/h7-8,13-22,25,28,31H,1-6,9-12H2,(H,38,41).
What are the key properties of N,2-dicyclohexyl-2-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]benzimidazol-1-yl]acetamide?
N,2-dicyclohexyl-2-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]benzimidazol-1-yl]acetamide has a molecular weight of 559.68 g/mol, XLogP of 8.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dicyclohexyl-2-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 68693949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).