3-(4-chlorophenyl)-4-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-5-methyl-1,2-oxazole

C32H27ClN4O — CID 141106811

IUPAC3-(4-chlorophenyl)-4-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-5-methyl-1,2-oxazole
SMILESCc1onc(-c2ccc(Cl)cc2)c1-c1ccc2cc(-c3nc4ccccc4n3C3CCCCC3)ccc2n1
InChIInChI=1S/C32H27ClN4O/c1-20-30(31(36-38-20)21-11-15-24(33)16-12-21)28-18-13-22-19-23(14-17-26(22)34-28)32-35-27-9-5-6-10-29(27)37(32)25-7-3-2-4-8-25/h5-6,9-19,25H,2-4,7-8H2,1H3
InChIKeyMOUDZDNOAVBIIE-UHFFFAOYSA-N
MW519.05 g/mol
LogP9.04
Rot. Bonds4

About 3-(4-chlorophenyl)-4-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-5-methyl-1,2-oxazole

3-(4-chlorophenyl)-4-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-5-methyl-1,2-oxazole (PubChem CID 141106811) has the molecular formula C32H27ClN4O and a molecular weight of 519.05 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-5-methyl-1,2-oxazole
PubChem CID141106811
Molecular FormulaC32H27ClN4O
Molecular Weight519.05 g/mol
Exact Mass518.19
IUPAC Name3-(4-chlorophenyl)-4-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-5-methyl-1,2-oxazole
SMILESCc1onc(-c2ccc(Cl)cc2)c1-c1ccc2cc(-c3nc4ccccc4n3C3CCCCC3)ccc2n1
InChIInChI=1S/C32H27ClN4O/c1-20-30(31(36-38-20)21-11-15-24(33)16-12-21)28-18-13-22-19-23(14-17-26(22)34-28)32-35-27-9-5-6-10-29(27)37(32)25-7-3-2-4-8-25/h5-6,9-19,25H,2-4,7-8H2,1H3
InChIKeyMOUDZDNOAVBIIE-UHFFFAOYSA-N
XLogP9.04
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.05
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-2-methyl-3-phenylmethoxyphenol
CID 141106823
5-methyl-3-phenyl-4-quinolin-2-yl-1,2-oxazole
CID 22081680
2-[2-[2-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)phenyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CID 11181341
2-[3-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 141106813
3-[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-cyclohexylpyrazole-1-carboxamide
CID 11963286
2-[2-[(4-chlorophenyl)carbamoyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CID 5276128
1-cyclohexyl-2-[6-(1-cyclohexylbenzimidazol-2-yl)-2-pyridinyl]benzimidazole;vanadium;trichloride
CID 173243403
1-cyclohexyl-2-[2-(2,4-dimethyl-1,3-thiazol-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid
CID 5276046
2-[2-[2-(4-chlorophenyl)-5-(3-pyrrolidin-1-ylpropoxy)phenyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CID 5276067
4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-N-methylaniline
CID 104698563
2-(4-chlorophenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid
CID 23516040
5-(1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylphenol
CID 170036549

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-(4-chlorophenyl)-4-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-5-methyl-1,2-oxazole (CID 141106811) is 3-(4-chlorophenyl)-4-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-(4-chlorophenyl)-4-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-(4-chlorophenyl)-4-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-5-methyl-1,2-oxazole is Cc1onc(-c2ccc(Cl)cc2)c1-c1ccc2cc(-c3nc4ccccc4n3C3CCCCC3)ccc2n1.
What is the InChIKey of 3-(4-chlorophenyl)-4-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-5-methyl-1,2-oxazole?
The InChIKey is MOUDZDNOAVBIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27ClN4O/c1-20-30(31(36-38-20)21-11-15-24(33)16-12-21)28-18-13-22-19-23(14-17-26(22)34-28)32-35-27-9-5-6-10-29(27)37(32)25-7-3-2-4-8-25/h5-6,9-19,25H,2-4,7-8H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-4-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-5-methyl-1,2-oxazole?
3-(4-chlorophenyl)-4-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-5-methyl-1,2-oxazole has a molecular weight of 519.05 g/mol, XLogP of 9.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-[6-(1-cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 141106811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).