6-(1-cyclohexylbenzimidazol-2-yl)-2-[5-methoxy-2-[4-(trifluoromethyl)phenyl]phenyl]quinoline

C36H30F3N3O — CID 141106812

IUPAC6-(1-cyclohexylbenzimidazol-2-yl)-2-[5-methoxy-2-[4-(trifluoromethyl)phenyl]phenyl]quinoline
SMILESCOc1ccc(-c2ccc(C(F)(F)F)cc2)c(-c2ccc3cc(-c4nc5ccccc5n4C4CCCCC4)ccc3n2)c1
InChIInChI=1S/C36H30F3N3O/c1-43-28-17-18-29(23-11-15-26(16-12-23)36(37,38)39)30(22-28)32-20-13-24-21-25(14-19-31(24)40-32)35-41-33-9-5-6-10-34(33)42(35)27-7-3-2-4-8-27/h5-6,9-22,27H,2-4,7-8H2,1H3
InChIKeyXNHMDEDSBLBTGN-UHFFFAOYSA-N
MW577.65 g/mol
LogP10.12
Rot. Bonds5

About 6-(1-cyclohexylbenzimidazol-2-yl)-2-[5-methoxy-2-[4-(trifluoromethyl)phenyl]phenyl]quinoline

6-(1-cyclohexylbenzimidazol-2-yl)-2-[5-methoxy-2-[4-(trifluoromethyl)phenyl]phenyl]quinoline (PubChem CID 141106812) has the molecular formula C36H30F3N3O and a molecular weight of 577.65 g/mol. Its IUPAC name is 6-(1-cyclohexylbenzimidazol-2-yl)-2-[5-methoxy-2-[4-(trifluoromethyl)phenyl]phenyl]quinoline.

Molecular Properties

Compound Name6-(1-cyclohexylbenzimidazol-2-yl)-2-[5-methoxy-2-[4-(trifluoromethyl)phenyl]phenyl]quinoline
PubChem CID141106812
Molecular FormulaC36H30F3N3O
Molecular Weight577.65 g/mol
Exact Mass577.23
IUPAC Name6-(1-cyclohexylbenzimidazol-2-yl)-2-[5-methoxy-2-[4-(trifluoromethyl)phenyl]phenyl]quinoline
SMILESCOc1ccc(-c2ccc(C(F)(F)F)cc2)c(-c2ccc3cc(-c4nc5ccccc5n4C4CCCCC4)ccc3n2)c1
InChIInChI=1S/C36H30F3N3O/c1-43-28-17-18-29(23-11-15-26(16-12-23)36(37,38)39)30(22-28)32-20-13-24-21-25(14-19-31(24)40-32)35-41-33-9-5-6-10-34(33)42(35)27-7-3-2-4-8-27/h5-6,9-22,27H,2-4,7-8H2,1H3
InChIKeyXNHMDEDSBLBTGN-UHFFFAOYSA-N
XLogP10.12
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.65
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Tomoxiprole
CID 6917745
2-Ethyl-3-(1-methylbutyl)-7-[2-(trifluoromethyl)-4-methoxyphenyl]-3H-imidazo[4,5-b]pyridine
CID 44458682
6-[(4-Ethoxyphenyl)methyl]-9-methoxyindolo[3,2-b]quinoxaline
CID 4318329
CID 137628645
CID 137628645
1-(4-Fluorophenyl)-8-(4-methoxyphenyl)-2-methylimidazo[4,5-c]quinoline
CID 168295901
1-Allyl-2-(3-methoxy-phenyl)-1H-imidazo[4,5-b]quinoxaline
CID 943197
9-Methoxy-6-[(4-methoxyphenyl)methyl]indolo[3,2-b]quinoxaline
CID 1860881
6-[[8-Fluoro-6-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]quinoline
CID 122179437
(6aR,11bR)-5-[3-[5,6-dimethyl-3-(naphthalen-2-ylmethyl)benzimidazol-3-ium-1-yl]propyl]-4-methoxy-6,6a,7,11b-tetrahydroindeno[2,1-c]quinoline bromide
CID 155542927
4-[7-Fluoro-2-methyl-8-[2-methyl-4-(4-methylpyrimidin-2-yl)oxyphenyl]imidazo[4,5-c]quinolin-1-yl]piperidine-1-carboxamide
CID 117892657
2H-Quinolizine, octahydro-1-(2-(P-methoxybenzyl)-5-(trifluoromethyl)-1-benzimidazolyl-methyl)-
CID 204878
6-Ethyl-9-methoxy-6H-indolo[2,3-b]quinoxaline
CID 945804

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclohexylbenzimidazol-2-yl)-2-[5-methoxy-2-[4-(trifluoromethyl)phenyl]phenyl]quinoline?
The IUPAC name of 6-(1-cyclohexylbenzimidazol-2-yl)-2-[5-methoxy-2-[4-(trifluoromethyl)phenyl]phenyl]quinoline (CID 141106812) is 6-(1-cyclohexylbenzimidazol-2-yl)-2-[5-methoxy-2-[4-(trifluoromethyl)phenyl]phenyl]quinoline.
What is the SMILES notation for 6-(1-cyclohexylbenzimidazol-2-yl)-2-[5-methoxy-2-[4-(trifluoromethyl)phenyl]phenyl]quinoline?
The canonical SMILES for 6-(1-cyclohexylbenzimidazol-2-yl)-2-[5-methoxy-2-[4-(trifluoromethyl)phenyl]phenyl]quinoline is COc1ccc(-c2ccc(C(F)(F)F)cc2)c(-c2ccc3cc(-c4nc5ccccc5n4C4CCCCC4)ccc3n2)c1.
What is the InChIKey of 6-(1-cyclohexylbenzimidazol-2-yl)-2-[5-methoxy-2-[4-(trifluoromethyl)phenyl]phenyl]quinoline?
The InChIKey is XNHMDEDSBLBTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30F3N3O/c1-43-28-17-18-29(23-11-15-26(16-12-23)36(37,38)39)30(22-28)32-20-13-24-21-25(14-19-31(24)40-32)35-41-33-9-5-6-10-34(33)42(35)27-7-3-2-4-8-27/h5-6,9-22,27H,2-4,7-8H2,1H3.
What are the key properties of 6-(1-cyclohexylbenzimidazol-2-yl)-2-[5-methoxy-2-[4-(trifluoromethyl)phenyl]phenyl]quinoline?
6-(1-cyclohexylbenzimidazol-2-yl)-2-[5-methoxy-2-[4-(trifluoromethyl)phenyl]phenyl]quinoline has a molecular weight of 577.65 g/mol, XLogP of 10.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclohexylbenzimidazol-2-yl)-2-[5-methoxy-2-[4-(trifluoromethyl)phenyl]phenyl]quinoline is sourced from PubChem (CID 141106812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).