(4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinolin-7-yl]-(2-methyl-1H-imidazol-5-yl)methanol

C28H20Cl2N4O — CID 91219738

IUPAC(4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinolin-7-yl]-(2-methyl-1H-imidazol-5-yl)methanol
SMILESCc1ncc(C(O)(c2ccc(Cl)cc2)c2ccc3c(c2)c(-c2cccc(Cl)c2)cc2nccn23)[nH]1
InChIInChI=1S/C28H20Cl2N4O/c1-17-32-16-26(33-17)28(35,19-5-8-21(29)9-6-19)20-7-10-25-24(14-20)23(15-27-31-11-12-34(25)27)18-3-2-4-22(30)13-18/h2-16,35H,1H3,(H,32,33)
InChIKeySFGSTKBZUBONIS-UHFFFAOYSA-N
MW499.40 g/mol
LogP6.78
Rot. Bonds4

About (4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinolin-7-yl]-(2-methyl-1H-imidazol-5-yl)methanol

(4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinolin-7-yl]-(2-methyl-1H-imidazol-5-yl)methanol (PubChem CID 91219738) has the molecular formula C28H20Cl2N4O and a molecular weight of 499.40 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinolin-7-yl]-(2-methyl-1H-imidazol-5-yl)methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinolin-7-yl]-(2-methyl-1H-imidazol-5-yl)methanol
PubChem CID91219738
Molecular FormulaC28H20Cl2N4O
Molecular Weight499.40 g/mol
Exact Mass498.10
IUPAC Name(4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinolin-7-yl]-(2-methyl-1H-imidazol-5-yl)methanol
SMILESCc1ncc(C(O)(c2ccc(Cl)cc2)c2ccc3c(c2)c(-c2cccc(Cl)c2)cc2nccn23)[nH]1
InChIInChI=1S/C28H20Cl2N4O/c1-17-32-16-26(33-17)28(35,19-5-8-21(29)9-6-19)20-7-10-25-24(14-20)23(15-27-31-11-12-34(25)27)18-3-2-4-22(30)13-18/h2-16,35H,1H3,(H,32,33)
InChIKeySFGSTKBZUBONIS-UHFFFAOYSA-N
XLogP6.78
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.40
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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-[[5-[[5-(3-Chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile
CID 16724146
(3-Benzyl-2,4-dichloroquinolin-6-yl)(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methanol
CID 74221196
(2,4-Dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-3-ylmethanol
CID 74222048
(4-Chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol
CID 74222808
(2,4-Dichloro-3-phenylquinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(pyridin-4-yl)methanol
CID 74222810
[2-Chloro-4-(dimethylamino)-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol
CID 86716113
[4-Chloro-2-(diethylamino)-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol
CID 86716129
(4-Chlorophenyl)(1-methyl-1H-imidazol-5-yl)(3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl)methanol
CID 86716130
(4-Chlorophenyl)(2,4-dichloro-3-phenylquinolin-6-yl)(1-methyl-1H-imidazol-5-yl)methanol
CID 90100965
(2,4-Dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol
CID 90101666

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinolin-7-yl]-(2-methyl-1H-imidazol-5-yl)methanol?
The IUPAC name of (4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinolin-7-yl]-(2-methyl-1H-imidazol-5-yl)methanol (CID 91219738) is (4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinolin-7-yl]-(2-methyl-1H-imidazol-5-yl)methanol.
What is the SMILES notation for (4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinolin-7-yl]-(2-methyl-1H-imidazol-5-yl)methanol?
The canonical SMILES for (4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinolin-7-yl]-(2-methyl-1H-imidazol-5-yl)methanol is Cc1ncc(C(O)(c2ccc(Cl)cc2)c2ccc3c(c2)c(-c2cccc(Cl)c2)cc2nccn23)[nH]1.
What is the InChIKey of (4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinolin-7-yl]-(2-methyl-1H-imidazol-5-yl)methanol?
The InChIKey is SFGSTKBZUBONIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20Cl2N4O/c1-17-32-16-26(33-17)28(35,19-5-8-21(29)9-6-19)20-7-10-25-24(14-20)23(15-27-31-11-12-34(25)27)18-3-2-4-22(30)13-18/h2-16,35H,1H3,(H,32,33).
What are the key properties of (4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinolin-7-yl]-(2-methyl-1H-imidazol-5-yl)methanol?
(4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinolin-7-yl]-(2-methyl-1H-imidazol-5-yl)methanol has a molecular weight of 499.40 g/mol, XLogP of 6.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[5-(3-chlorophenyl)imidazo[1,2-a]quinolin-7-yl]-(2-methyl-1H-imidazol-5-yl)methanol is sourced from PubChem (CID 91219738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).