4-chloro-6-[2-(4-chlorophenyl)prop-2-enyl]-6-(imidazol-1-ylmethyl)cyclohexa-2,4-dien-1-ol

C19H18Cl2N2O — CID 174252643

IUPAC4-chloro-6-[2-(4-chlorophenyl)prop-2-enyl]-6-(imidazol-1-ylmethyl)cyclohexa-2,4-dien-1-ol
SMILESC=C(CC1(Cn2ccnc2)C=C(Cl)C=CC1O)c1ccc(Cl)cc1
InChIInChI=1S/C19H18Cl2N2O/c1-14(15-2-4-16(20)5-3-15)10-19(12-23-9-8-22-13-23)11-17(21)6-7-18(19)24/h2-9,11,13,18,24H,1,10,12H2
InChIKeyVFWMSWZTQLOLJS-UHFFFAOYSA-N
MW361.27 g/mol
LogP4.68
Rot. Bonds5

About 4-chloro-6-[2-(4-chlorophenyl)prop-2-enyl]-6-(imidazol-1-ylmethyl)cyclohexa-2,4-dien-1-ol

4-chloro-6-[2-(4-chlorophenyl)prop-2-enyl]-6-(imidazol-1-ylmethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 174252643) has the molecular formula C19H18Cl2N2O and a molecular weight of 361.27 g/mol. Its IUPAC name is 4-chloro-6-[2-(4-chlorophenyl)prop-2-enyl]-6-(imidazol-1-ylmethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-chloro-6-[2-(4-chlorophenyl)prop-2-enyl]-6-(imidazol-1-ylmethyl)cyclohexa-2,4-dien-1-ol
PubChem CID174252643
Molecular FormulaC19H18Cl2N2O
Molecular Weight361.27 g/mol
Exact Mass360.08
IUPAC Name4-chloro-6-[2-(4-chlorophenyl)prop-2-enyl]-6-(imidazol-1-ylmethyl)cyclohexa-2,4-dien-1-ol
SMILESC=C(CC1(Cn2ccnc2)C=C(Cl)C=CC1O)c1ccc(Cl)cc1
InChIInChI=1S/C19H18Cl2N2O/c1-14(15-2-4-16(20)5-3-15)10-19(12-23-9-8-22-13-23)11-17(21)6-7-18(19)24/h2-9,11,13,18,24H,1,10,12H2
InChIKeyVFWMSWZTQLOLJS-UHFFFAOYSA-N
XLogP4.68
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-[2-(4-chlorophenyl)prop-2-enyl]-6-(imidazol-1-ylmethyl)cyclohexa-2,4-dien-1-ol 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-chloro-6-[2-(4-chlorophenyl)prop-2-enyl]-6-(imidazol-1-ylmethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-chloro-6-[2-(4-chlorophenyl)prop-2-enyl]-6-(imidazol-1-ylmethyl)cyclohexa-2,4-dien-1-ol (CID 174252643) is 4-chloro-6-[2-(4-chlorophenyl)prop-2-enyl]-6-(imidazol-1-ylmethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-chloro-6-[2-(4-chlorophenyl)prop-2-enyl]-6-(imidazol-1-ylmethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-chloro-6-[2-(4-chlorophenyl)prop-2-enyl]-6-(imidazol-1-ylmethyl)cyclohexa-2,4-dien-1-ol is C=C(CC1(Cn2ccnc2)C=C(Cl)C=CC1O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-6-[2-(4-chlorophenyl)prop-2-enyl]-6-(imidazol-1-ylmethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is VFWMSWZTQLOLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O/c1-14(15-2-4-16(20)5-3-15)10-19(12-23-9-8-22-13-23)11-17(21)6-7-18(19)24/h2-9,11,13,18,24H,1,10,12H2.
What are the key properties of 4-chloro-6-[2-(4-chlorophenyl)prop-2-enyl]-6-(imidazol-1-ylmethyl)cyclohexa-2,4-dien-1-ol?
4-chloro-6-[2-(4-chlorophenyl)prop-2-enyl]-6-(imidazol-1-ylmethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 361.27 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-(4-chlorophenyl)prop-2-enyl]-6-(imidazol-1-ylmethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 174252643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).