1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2,5-dimethylimidazole

C19H19ClN2O — CID 57138416

IUPAC1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2,5-dimethylimidazole
SMILESCc1cnc(C)n1Cc1ccc(OCc2ccccc2)cc1Cl
InChIInChI=1S/C19H19ClN2O/c1-14-11-21-15(2)22(14)12-17-8-9-18(10-19(17)20)23-13-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3
InChIKeyFPBRNDAOGNHMHJ-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.78
Rot. Bonds5

About 1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2,5-dimethylimidazole

1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2,5-dimethylimidazole (PubChem CID 57138416) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2,5-dimethylimidazole.

Molecular Properties

Compound Name1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2,5-dimethylimidazole
PubChem CID57138416
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2,5-dimethylimidazole
SMILESCc1cnc(C)n1Cc1ccc(OCc2ccccc2)cc1Cl
InChIInChI=1S/C19H19ClN2O/c1-14-11-21-15(2)22(14)12-17-8-9-18(10-19(17)20)23-13-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3
InChIKeyFPBRNDAOGNHMHJ-UHFFFAOYSA-N
XLogP4.78
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2,5-dimethylimidazole 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 1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2,5-dimethylimidazole?
The IUPAC name of 1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2,5-dimethylimidazole (CID 57138416) is 1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2,5-dimethylimidazole.
What is the SMILES notation for 1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2,5-dimethylimidazole?
The canonical SMILES for 1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2,5-dimethylimidazole is Cc1cnc(C)n1Cc1ccc(OCc2ccccc2)cc1Cl.
What is the InChIKey of 1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2,5-dimethylimidazole?
The InChIKey is FPBRNDAOGNHMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-14-11-21-15(2)22(14)12-17-8-9-18(10-19(17)20)23-13-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3.
What are the key properties of 1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2,5-dimethylimidazole?
1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2,5-dimethylimidazole has a molecular weight of 326.83 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2,5-dimethylimidazole is sourced from PubChem (CID 57138416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).