(4-chlorophenyl)-(4,5-dichloro-1-methylimidazol-2-yl)methanol

C11H9Cl3N2O — CID 658852

IUPAC(4-chlorophenyl)-(4,5-dichloro-1-methylimidazol-2-yl)methanol
SMILESCn1c(C(O)c2ccc(Cl)cc2)nc(Cl)c1Cl
InChIInChI=1S/C11H9Cl3N2O/c1-16-10(14)9(13)15-11(16)8(17)6-2-4-7(12)5-3-6/h2-5,8,17H,1H3
InChIKeyMPKCTYCUBUKBLY-UHFFFAOYSA-N
MW291.56 g/mol
LogP3.46
Rot. Bonds2

About (4-chlorophenyl)-(4,5-dichloro-1-methylimidazol-2-yl)methanol

(4-chlorophenyl)-(4,5-dichloro-1-methylimidazol-2-yl)methanol (PubChem CID 658852) has the molecular formula C11H9Cl3N2O and a molecular weight of 291.56 g/mol. Its IUPAC name is (4-chlorophenyl)-(4,5-dichloro-1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(4,5-dichloro-1-methylimidazol-2-yl)methanol
PubChem CID658852
Molecular FormulaC11H9Cl3N2O
Molecular Weight291.56 g/mol
Exact Mass289.98
IUPAC Name(4-chlorophenyl)-(4,5-dichloro-1-methylimidazol-2-yl)methanol
SMILESCn1c(C(O)c2ccc(Cl)cc2)nc(Cl)c1Cl
InChIInChI=1S/C11H9Cl3N2O/c1-16-10(14)9(13)15-11(16)8(17)6-2-4-7(12)5-3-6/h2-5,8,17H,1H3
InChIKeyMPKCTYCUBUKBLY-UHFFFAOYSA-N
XLogP3.46
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.56
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(+-)-alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol
CID 32238
(4,5-dichloro-1-methyl-1H-imidazol-2-yl)(phenyl)methanol
CID 2859054
(5-chloro-1-methyl-1H-imidazol-2-yl)(phenyl)methanol
CID 650470
alpha-(4-Chlorophenyl)-1H-imidazole-1-ethanol
CID 91130
(4,5-Dichloro-1-methylimidazol-2-yl)-(2-fluorophenyl)methanol
CID 646450
2-(2-Aminoimidazol-1-yl)-1-(2,3-dichlorophenyl)ethanol
CID 90644775
2-(2-Amino-4,5-dimethylimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
CID 90644778
2-(2-Aminoimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
CID 90681918
(4-bromophenyl)(4,5-dichloro-1-methyl-1H-imidazol-2-yl)methanol
CID 3123550
(4-chloro-1-methyl-1H-imidazol-2-yl)(phenyl)methanol
CID 661604
Econazole impurity 17
CID 12760607
1-(2,6-Dichlorophenyl)-2-imidazol-1-ylethanol
CID 12760610

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(4,5-dichloro-1-methylimidazol-2-yl)methanol?
The IUPAC name of (4-chlorophenyl)-(4,5-dichloro-1-methylimidazol-2-yl)methanol (CID 658852) is (4-chlorophenyl)-(4,5-dichloro-1-methylimidazol-2-yl)methanol.
What is the SMILES notation for (4-chlorophenyl)-(4,5-dichloro-1-methylimidazol-2-yl)methanol?
The canonical SMILES for (4-chlorophenyl)-(4,5-dichloro-1-methylimidazol-2-yl)methanol is Cn1c(C(O)c2ccc(Cl)cc2)nc(Cl)c1Cl.
What is the InChIKey of (4-chlorophenyl)-(4,5-dichloro-1-methylimidazol-2-yl)methanol?
The InChIKey is MPKCTYCUBUKBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3N2O/c1-16-10(14)9(13)15-11(16)8(17)6-2-4-7(12)5-3-6/h2-5,8,17H,1H3.
What are the key properties of (4-chlorophenyl)-(4,5-dichloro-1-methylimidazol-2-yl)methanol?
(4-chlorophenyl)-(4,5-dichloro-1-methylimidazol-2-yl)methanol has a molecular weight of 291.56 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(4,5-dichloro-1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 658852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).