1-[(2-chloro-6-fluorophenyl)methyl]imidazole

C10H8ClFN2 — CID 2989755

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]imidazole
SMILESFc1cccc(Cl)c1Cn1ccnc1
InChIInChI=1S/C10H8ClFN2/c11-9-2-1-3-10(12)8(9)6-14-5-4-13-7-14/h1-5,7H,6H2
InChIKeyWVFQLVIXKSHYTH-UHFFFAOYSA-N
MW210.64 g/mol
LogP2.72
Rot. Bonds2

About 1-[(2-chloro-6-fluorophenyl)methyl]imidazole

1-[(2-chloro-6-fluorophenyl)methyl]imidazole (PubChem CID 2989755) has the molecular formula C10H8ClFN2 and a molecular weight of 210.64 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]imidazole.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]imidazole
PubChem CID2989755
Molecular FormulaC10H8ClFN2
Molecular Weight210.64 g/mol
Exact Mass210.04
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]imidazole
SMILESFc1cccc(Cl)c1Cn1ccnc1
InChIInChI=1S/C10H8ClFN2/c11-9-2-1-3-10(12)8(9)6-14-5-4-13-7-14/h1-5,7H,6H2
InChIKeyWVFQLVIXKSHYTH-UHFFFAOYSA-N
XLogP2.72
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.64
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2-chloro-6-fluorophenyl)methyl]imidazole 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-6-fluorophenyl)methyl]imidazole?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]imidazole (CID 2989755) is 1-[(2-chloro-6-fluorophenyl)methyl]imidazole.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]imidazole?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]imidazole is Fc1cccc(Cl)c1Cn1ccnc1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]imidazole?
The InChIKey is WVFQLVIXKSHYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2/c11-9-2-1-3-10(12)8(9)6-14-5-4-13-7-14/h1-5,7H,6H2.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]imidazole?
1-[(2-chloro-6-fluorophenyl)methyl]imidazole has a molecular weight of 210.64 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]imidazole is sourced from PubChem (CID 2989755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).