(3-methylcyclohexyl) (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate

C24H25F3N2O2 — CID 129231805

IUPAC(3-methylcyclohexyl) (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate
SMILESCC1CCCC(OC(=O)[C@@H](C)n2c(-c3ccc(C(F)(F)F)cc3)nc3ccccc32)C1
InChIInChI=1S/C24H25F3N2O2/c1-15-6-5-7-19(14-15)31-23(30)16(2)29-21-9-4-3-8-20(21)28-22(29)17-10-12-18(13-11-17)24(25,26)27/h3-4,8-13,15-16,19H,5-7,14H2,1-2H3/t15?,16-,19?/m1/s1
InChIKeyDUNOVJHQHDKTFB-KOHRHEQBSA-N
MW430.47 g/mol
LogP6.41
Rot. Bonds4

About (3-methylcyclohexyl) (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate

(3-methylcyclohexyl) (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate (PubChem CID 129231805) has the molecular formula C24H25F3N2O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is (3-methylcyclohexyl) (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate.

Molecular Properties

Compound Name(3-methylcyclohexyl) (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate
PubChem CID129231805
Molecular FormulaC24H25F3N2O2
Molecular Weight430.47 g/mol
Exact Mass430.19
IUPAC Name(3-methylcyclohexyl) (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate
SMILESCC1CCCC(OC(=O)[C@@H](C)n2c(-c3ccc(C(F)(F)F)cc3)nc3ccccc32)C1
InChIInChI=1S/C24H25F3N2O2/c1-15-6-5-7-19(14-15)31-23(30)16(2)29-21-9-4-3-8-20(21)28-22(29)17-10-12-18(13-11-17)24(25,26)27/h3-4,8-13,15-16,19H,5-7,14H2,1-2H3/t15?,16-,19?/m1/s1
InChIKeyDUNOVJHQHDKTFB-KOHRHEQBSA-N
XLogP6.41
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-methylcyclohexyl) (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate 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

[(3R)-3-methylcyclohexyl] (2R)-2-[2-[4-(diethylamino)phenyl]benzimidazol-1-yl]propanoate
CID 145328972
[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-cyclopropyl-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(dimethylamino)phenyl]benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]propanoate;[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate
CID 161417848
[(1R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-[2-[4-(dimethylamino)-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate
CID 129231811
N,2-dicyclohexyl-2-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]benzimidazol-1-yl]acetamide
CID 68693949
(3-methylcyclohexyl) 2-[2-(3,4-dichlorophenyl)benzimidazol-1-yl]acetate
CID 129231048
[(1S)-3-methylcyclohexyl] 2-[2-(3-chlorophenyl)benzimidazol-1-yl]acetate;propane
CID 145328961
2-(2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid
CID 82144822
[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetate
CID 129230731
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetate
CID 129230634
4-(1-propan-2-ylbenzimidazol-2-yl)benzoic acid
CID 4915596
[(1R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[2-[3-(trifluoromethyl)phenyl]benzimidazol-1-yl]acetate
CID 129230422
4-[1-[1-(dimethylamino)-1-oxopropan-2-yl]benzimidazol-2-yl]-N-methylbenzamide
CID 175453669

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl) (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate?
The IUPAC name of (3-methylcyclohexyl) (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate (CID 129231805) is (3-methylcyclohexyl) (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate.
What is the SMILES notation for (3-methylcyclohexyl) (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate?
The canonical SMILES for (3-methylcyclohexyl) (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate is CC1CCCC(OC(=O)[C@@H](C)n2c(-c3ccc(C(F)(F)F)cc3)nc3ccccc32)C1.
What is the InChIKey of (3-methylcyclohexyl) (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate?
The InChIKey is DUNOVJHQHDKTFB-KOHRHEQBSA-N. The full InChI is InChI=1S/C24H25F3N2O2/c1-15-6-5-7-19(14-15)31-23(30)16(2)29-21-9-4-3-8-20(21)28-22(29)17-10-12-18(13-11-17)24(25,26)27/h3-4,8-13,15-16,19H,5-7,14H2,1-2H3/t15?,16-,19?/m1/s1.
What are the key properties of (3-methylcyclohexyl) (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate?
(3-methylcyclohexyl) (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate has a molecular weight of 430.47 g/mol, XLogP of 6.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl) (2R)-2-[2-[4-(trifluoromethyl)phenyl]benzimidazol-1-yl]propanoate is sourced from PubChem (CID 129231805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).