6-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-2-methyl-3-phenylmethoxyphenol

C36H33N3O2 — CID 141106823

IUPAC6-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-2-methyl-3-phenylmethoxyphenol
SMILESCc1c(OCc2ccccc2)ccc(-c2ccc3cc(-c4nc5ccccc5n4C4CCCCC4)ccc3n2)c1O
InChIInChI=1S/C36H33N3O2/c1-24-34(41-23-25-10-4-2-5-11-25)21-18-29(35(24)40)31-20-16-26-22-27(17-19-30(26)37-31)36-38-32-14-8-9-15-33(32)39(36)28-12-6-3-7-13-28/h2,4-5,8-11,14-22,28,40H,3,6-7,12-13,23H2,1H3
InChIKeyOQBMHABHAXAFRO-UHFFFAOYSA-N
MW539.68 g/mol
LogP9.02
Rot. Bonds6

About 6-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-2-methyl-3-phenylmethoxyphenol

6-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-2-methyl-3-phenylmethoxyphenol (PubChem CID 141106823) has the molecular formula C36H33N3O2 and a molecular weight of 539.68 g/mol. Its IUPAC name is 6-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-2-methyl-3-phenylmethoxyphenol.

Molecular Properties

Compound Name6-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-2-methyl-3-phenylmethoxyphenol
PubChem CID141106823
Molecular FormulaC36H33N3O2
Molecular Weight539.68 g/mol
Exact Mass539.26
IUPAC Name6-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-2-methyl-3-phenylmethoxyphenol
SMILESCc1c(OCc2ccccc2)ccc(-c2ccc3cc(-c4nc5ccccc5n4C4CCCCC4)ccc3n2)c1O
InChIInChI=1S/C36H33N3O2/c1-24-34(41-23-25-10-4-2-5-11-25)21-18-29(35(24)40)31-20-16-26-22-27(17-19-30(26)37-31)36-38-32-14-8-9-15-33(32)39(36)28-12-6-3-7-13-28/h2,4-5,8-11,14-22,28,40H,3,6-7,12-13,23H2,1H3
InChIKeyOQBMHABHAXAFRO-UHFFFAOYSA-N
XLogP9.02
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.68
LogP ≤ 59.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 141106813
3-(4-chlorophenyl)-4-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-5-methyl-1,2-oxazole
CID 141106811
benzyl N-[(1R)-2-[4-(1-cyclohexylbenzimidazol-2-yl)phenoxy]-1-phenylethyl]carbamate
CID 141026510
5-(1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylphenol
CID 170036549
2-[2-[2-(4-aminophenyl)-5-methoxyphenyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CID 89200947
1-cyclohexyl-2-[4-[2-(2-phenylethoxy)phenoxy]phenyl]benzimidazole
CID 150379591
1-cyclopentyl-2-(3-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
CID 23515913
2-[2-[2-(4-chlorophenyl)-5-(3-pyrrolidin-1-ylpropoxy)phenyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CID 5276067
2-[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CID 11181341
1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid
CID 5276046
2-[1-cyclopentyl-2-(4-phenylmethoxyphenyl)benzimidazol-5-yl]-2-formamidoacetic acid
CID 87847801
quinolin-6-yl 1-cyclohexyl-2-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]quinolin-6-yl]benzimidazole-5-carboxylate
CID 140534300

Frequently Asked Questions

What is the IUPAC name of 6-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-2-methyl-3-phenylmethoxyphenol?
The IUPAC name of 6-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-2-methyl-3-phenylmethoxyphenol (CID 141106823) is 6-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-2-methyl-3-phenylmethoxyphenol.
What is the SMILES notation for 6-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-2-methyl-3-phenylmethoxyphenol?
The canonical SMILES for 6-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-2-methyl-3-phenylmethoxyphenol is Cc1c(OCc2ccccc2)ccc(-c2ccc3cc(-c4nc5ccccc5n4C4CCCCC4)ccc3n2)c1O.
What is the InChIKey of 6-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-2-methyl-3-phenylmethoxyphenol?
The InChIKey is OQBMHABHAXAFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33N3O2/c1-24-34(41-23-25-10-4-2-5-11-25)21-18-29(35(24)40)31-20-16-26-22-27(17-19-30(26)37-31)36-38-32-14-8-9-15-33(32)39(36)28-12-6-3-7-13-28/h2,4-5,8-11,14-22,28,40H,3,6-7,12-13,23H2,1H3.
What are the key properties of 6-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-2-methyl-3-phenylmethoxyphenol?
6-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-2-methyl-3-phenylmethoxyphenol has a molecular weight of 539.68 g/mol, XLogP of 9.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-2-methyl-3-phenylmethoxyphenol is sourced from PubChem (CID 141106823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).