(4-chlorophenyl)-(2-chloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol

C26H19Cl2N3O — CID 118005546

IUPAC(4-chlorophenyl)-(2-chloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(-c3ccccc3)cc2c1
InChIInChI=1S/C26H19Cl2N3O/c1-31-16-29-15-24(31)26(32,19-7-10-21(27)11-8-19)20-9-12-23-18(13-20)14-22(25(28)30-23)17-5-3-2-4-6-17/h2-16,32H,1H3
InChIKeyHTGMWRFSUOQSLW-UHFFFAOYSA-N
MW460.36 g/mol
LogP6.23
Rot. Bonds4

About (4-chlorophenyl)-(2-chloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol

(4-chlorophenyl)-(2-chloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol (PubChem CID 118005546) has the molecular formula C26H19Cl2N3O and a molecular weight of 460.36 g/mol. Its IUPAC name is (4-chlorophenyl)-(2-chloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(2-chloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol
PubChem CID118005546
Molecular FormulaC26H19Cl2N3O
Molecular Weight460.36 g/mol
Exact Mass459.09
IUPAC Name(4-chlorophenyl)-(2-chloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(-c3ccccc3)cc2c1
InChIInChI=1S/C26H19Cl2N3O/c1-31-16-29-15-24(31)26(32,19-7-10-21(27)11-8-19)20-9-12-23-18(13-20)14-22(25(28)30-23)17-5-3-2-4-6-17/h2-16,32H,1H3
InChIKeyHTGMWRFSUOQSLW-UHFFFAOYSA-N
XLogP6.23
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.36
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2-chloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol?
The IUPAC name of (4-chlorophenyl)-(2-chloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol (CID 118005546) is (4-chlorophenyl)-(2-chloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol.
What is the SMILES notation for (4-chlorophenyl)-(2-chloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol?
The canonical SMILES for (4-chlorophenyl)-(2-chloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol is Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(-c3ccccc3)cc2c1.
What is the InChIKey of (4-chlorophenyl)-(2-chloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol?
The InChIKey is HTGMWRFSUOQSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Cl2N3O/c1-31-16-29-15-24(31)26(32,19-7-10-21(27)11-8-19)20-9-12-23-18(13-20)14-22(25(28)30-23)17-5-3-2-4-6-17/h2-16,32H,1H3.
What are the key properties of (4-chlorophenyl)-(2-chloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol?
(4-chlorophenyl)-(2-chloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol has a molecular weight of 460.36 g/mol, XLogP of 6.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2-chloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 118005546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).