(3-benzyl-2,4-dichloroquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol

C27H20Cl3N3O — CID 74221196

IUPAC(3-benzyl-2,4-dichloroquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(Cc3ccccc3)c(Cl)c2c1
InChIInChI=1S/C27H20Cl3N3O/c1-33-16-31-15-24(33)27(34,18-7-10-20(28)11-8-18)19-9-12-23-21(14-19)25(29)22(26(30)32-23)13-17-5-3-2-4-6-17/h2-12,14-16,34H,13H2,1H3
InChIKeyIGBFRJGBHUMYIT-UHFFFAOYSA-N
MW508.84 g/mol
LogP6.80
Rot. Bonds5

About (3-benzyl-2,4-dichloroquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol

(3-benzyl-2,4-dichloroquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol (PubChem CID 74221196) has the molecular formula C27H20Cl3N3O and a molecular weight of 508.84 g/mol. Its IUPAC name is (3-benzyl-2,4-dichloroquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3-benzyl-2,4-dichloroquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
PubChem CID74221196
Molecular FormulaC27H20Cl3N3O
Molecular Weight508.84 g/mol
Exact Mass507.07
IUPAC Name(3-benzyl-2,4-dichloroquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(Cc3ccccc3)c(Cl)c2c1
InChIInChI=1S/C27H20Cl3N3O/c1-33-16-31-15-24(33)27(34,18-7-10-20(28)11-8-18)19-9-12-23-21(14-19)25(29)22(26(30)32-23)13-17-5-3-2-4-6-17/h2-12,14-16,34H,13H2,1H3
InChIKeyIGBFRJGBHUMYIT-UHFFFAOYSA-N
XLogP6.80
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.84
LogP ≤ 56.80
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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Related Compounds

Cp-609754
CID 46208720
2-(3-(2-(4-Chlorophenyl)imidazo(1,2-a)-pyridin-6-yl)phenyl)propan-2-ol
CID 24759785
9-(3-Chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
CID 11038422
(2,4-Dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-(2-methyl-4-pyridinyl)methanol
CID 74222221
(2,4-Dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-quinolin-4-ylmethanol
CID 117869728
4-[3-(4-Cyano-phenyl)-1-hydroxy-1-(3-methyl-3H-imidazol-4-yl)-prop-2-ynyl]-2-quinolin-8-yl-benzonitrile
CID 44459800
4-(3-Chlorophenyl)-6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]isoquinoline
CID 45375872
6-[(4-Chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-4-(2,6-difluorophenyl)isoquinoline
CID 45375873
4-(phenyl)-6-((4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl)-1-methylquinolin-2(1H)-one
CID 46237255
4-(4-chlorophenyl)-6-((4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl)-1-methylquinolin-2(1H)-one
CID 46237257
4-(3-Chlorophenyl)-6-((4-chlorophenyl)(hydroxy)(1-methyl-1H-imidazol-5-yl)methyl)-1-methylquinolin-2(1H)-one
CID 9891739
4-(3-Chloro-phenyl)-6-[(4-chloro-phenyl)-hydroxy-(3-methyl-3H-imidazol-4-yl)-methyl]-1H-quinolin-2-one
CID 44357811

Frequently Asked Questions

What is the IUPAC name of (3-benzyl-2,4-dichloroquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol?
The IUPAC name of (3-benzyl-2,4-dichloroquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol (CID 74221196) is (3-benzyl-2,4-dichloroquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol.
What is the SMILES notation for (3-benzyl-2,4-dichloroquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol?
The canonical SMILES for (3-benzyl-2,4-dichloroquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol is Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(Cc3ccccc3)c(Cl)c2c1.
What is the InChIKey of (3-benzyl-2,4-dichloroquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol?
The InChIKey is IGBFRJGBHUMYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20Cl3N3O/c1-33-16-31-15-24(33)27(34,18-7-10-20(28)11-8-18)19-9-12-23-21(14-19)25(29)22(26(30)32-23)13-17-5-3-2-4-6-17/h2-12,14-16,34H,13H2,1H3.
What are the key properties of (3-benzyl-2,4-dichloroquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol?
(3-benzyl-2,4-dichloroquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol has a molecular weight of 508.84 g/mol, XLogP of 6.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-2,4-dichloroquinolin-6-yl)-(4-chlorophenyl)-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 74221196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).