(4-chlorophenyl)-(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol

C28H18ClF6N3O — CID 86716130

IUPAC(4-chlorophenyl)-(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol
SMILESCn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C(F)(F)F)c(-c3ccccc3)c(C(F)(F)F)c2c1
InChIInChI=1S/C28H18ClF6N3O/c1-38-15-36-14-22(38)26(39,17-7-10-19(29)11-8-17)18-9-12-21-20(13-18)24(27(30,31)32)23(16-5-3-2-4-6-16)25(37-21)28(33,34)35/h2-15,39H,1H3
InChIKeyVPSNJCYEACNZCO-UHFFFAOYSA-N
MW561.91 g/mol
LogP7.61
Rot. Bonds4

About (4-chlorophenyl)-(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol

(4-chlorophenyl)-(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol (PubChem CID 86716130) has the molecular formula C28H18ClF6N3O and a molecular weight of 561.91 g/mol. Its IUPAC name is (4-chlorophenyl)-(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol
PubChem CID86716130
Molecular FormulaC28H18ClF6N3O
Molecular Weight561.91 g/mol
Exact Mass561.10
IUPAC Name(4-chlorophenyl)-(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol
SMILESCn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C(F)(F)F)c(-c3ccccc3)c(C(F)(F)F)c2c1
InChIInChI=1S/C28H18ClF6N3O/c1-38-15-36-14-22(38)26(39,17-7-10-19(29)11-8-17)18-9-12-21-20(13-18)24(27(30,31)32)23(16-5-3-2-4-6-16)25(37-21)28(33,34)35/h2-15,39H,1H3
InChIKeyVPSNJCYEACNZCO-UHFFFAOYSA-N
XLogP7.61
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.91
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-chlorophenyl)-(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol?
The IUPAC name of (4-chlorophenyl)-(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol (CID 86716130) is (4-chlorophenyl)-(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol.
What is the SMILES notation for (4-chlorophenyl)-(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol?
The canonical SMILES for (4-chlorophenyl)-(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol is Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C(F)(F)F)c(-c3ccccc3)c(C(F)(F)F)c2c1.
What is the InChIKey of (4-chlorophenyl)-(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol?
The InChIKey is VPSNJCYEACNZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18ClF6N3O/c1-38-15-36-14-22(38)26(39,17-7-10-19(29)11-8-17)18-9-12-21-20(13-18)24(27(30,31)32)23(16-5-3-2-4-6-16)25(37-21)28(33,34)35/h2-15,39H,1H3.
What are the key properties of (4-chlorophenyl)-(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol?
(4-chlorophenyl)-(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol has a molecular weight of 561.91 g/mol, XLogP of 7.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(3-methylimidazol-4-yl)-[3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl]methanol is sourced from PubChem (CID 86716130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).