1-[2-[(2-chloro-6-fluoro-3-methylphenyl)methyl]phenyl]-2-ethenylimidazole

C19H16ClFN2 — CID 68867234

IUPAC1-[2-[(2-chloro-6-fluoro-3-methylphenyl)methyl]phenyl]-2-ethenylimidazole
SMILESC=Cc1nccn1-c1ccccc1Cc1c(F)ccc(C)c1Cl
InChIInChI=1S/C19H16ClFN2/c1-3-18-22-10-11-23(18)17-7-5-4-6-14(17)12-15-16(21)9-8-13(2)19(15)20/h3-11H,1,12H2,2H3
InChIKeyDSAXYTUZEWOTBI-UHFFFAOYSA-N
MW326.80 g/mol
LogP5.21
Rot. Bonds4

About 1-[2-[(2-chloro-6-fluoro-3-methylphenyl)methyl]phenyl]-2-ethenylimidazole

1-[2-[(2-chloro-6-fluoro-3-methylphenyl)methyl]phenyl]-2-ethenylimidazole (PubChem CID 68867234) has the molecular formula C19H16ClFN2 and a molecular weight of 326.80 g/mol. Its IUPAC name is 1-[2-[(2-chloro-6-fluoro-3-methylphenyl)methyl]phenyl]-2-ethenylimidazole.

Molecular Properties

Compound Name1-[2-[(2-chloro-6-fluoro-3-methylphenyl)methyl]phenyl]-2-ethenylimidazole
PubChem CID68867234
Molecular FormulaC19H16ClFN2
Molecular Weight326.80 g/mol
Exact Mass326.10
IUPAC Name1-[2-[(2-chloro-6-fluoro-3-methylphenyl)methyl]phenyl]-2-ethenylimidazole
SMILESC=Cc1nccn1-c1ccccc1Cc1c(F)ccc(C)c1Cl
InChIInChI=1S/C19H16ClFN2/c1-3-18-22-10-11-23(18)17-7-5-4-6-14(17)12-15-16(21)9-8-13(2)19(15)20/h3-11H,1,12H2,2H3
InChIKeyDSAXYTUZEWOTBI-UHFFFAOYSA-N
XLogP5.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.80
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-[(2-chloro-6-fluoro-3-methylphenyl)methyl]phenyl]-2-ethenylimidazole 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-[(2-chloro-6-fluoro-3-methylphenyl)methyl]phenyl]-2-ethenylimidazole?
The IUPAC name of 1-[2-[(2-chloro-6-fluoro-3-methylphenyl)methyl]phenyl]-2-ethenylimidazole (CID 68867234) is 1-[2-[(2-chloro-6-fluoro-3-methylphenyl)methyl]phenyl]-2-ethenylimidazole.
What is the SMILES notation for 1-[2-[(2-chloro-6-fluoro-3-methylphenyl)methyl]phenyl]-2-ethenylimidazole?
The canonical SMILES for 1-[2-[(2-chloro-6-fluoro-3-methylphenyl)methyl]phenyl]-2-ethenylimidazole is C=Cc1nccn1-c1ccccc1Cc1c(F)ccc(C)c1Cl.
What is the InChIKey of 1-[2-[(2-chloro-6-fluoro-3-methylphenyl)methyl]phenyl]-2-ethenylimidazole?
The InChIKey is DSAXYTUZEWOTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2/c1-3-18-22-10-11-23(18)17-7-5-4-6-14(17)12-15-16(21)9-8-13(2)19(15)20/h3-11H,1,12H2,2H3.
What are the key properties of 1-[2-[(2-chloro-6-fluoro-3-methylphenyl)methyl]phenyl]-2-ethenylimidazole?
1-[2-[(2-chloro-6-fluoro-3-methylphenyl)methyl]phenyl]-2-ethenylimidazole has a molecular weight of 326.80 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chloro-6-fluoro-3-methylphenyl)methyl]phenyl]-2-ethenylimidazole is sourced from PubChem (CID 68867234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).