4-[2-(4-chloro-3-fluorophenyl)-1H-imidazol-5-yl]-N-methylaniline

C16H13ClFN3 — CID 131992559

IUPAC4-[2-(4-chloro-3-fluorophenyl)-1H-imidazol-5-yl]-N-methylaniline
SMILESCNc1ccc(-c2cnc(-c3ccc(Cl)c(F)c3)[nH]2)cc1
InChIInChI=1S/C16H13ClFN3/c1-19-12-5-2-10(3-6-12)15-9-20-16(21-15)11-4-7-13(17)14(18)8-11/h2-9,19H,1H3,(H,20,21)
InChIKeyJZGMIRARVXXVLK-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.58
Rot. Bonds3

About 4-[2-(4-chloro-3-fluorophenyl)-1H-imidazol-5-yl]-N-methylaniline

4-[2-(4-chloro-3-fluorophenyl)-1H-imidazol-5-yl]-N-methylaniline (PubChem CID 131992559) has the molecular formula C16H13ClFN3 and a molecular weight of 301.75 g/mol. Its IUPAC name is 4-[2-(4-chloro-3-fluorophenyl)-1H-imidazol-5-yl]-N-methylaniline.

Molecular Properties

Compound Name4-[2-(4-chloro-3-fluorophenyl)-1H-imidazol-5-yl]-N-methylaniline
PubChem CID131992559
Molecular FormulaC16H13ClFN3
Molecular Weight301.75 g/mol
Exact Mass301.08
IUPAC Name4-[2-(4-chloro-3-fluorophenyl)-1H-imidazol-5-yl]-N-methylaniline
SMILESCNc1ccc(-c2cnc(-c3ccc(Cl)c(F)c3)[nH]2)cc1
InChIInChI=1S/C16H13ClFN3/c1-19-12-5-2-10(3-6-12)15-9-20-16(21-15)11-4-7-13(17)14(18)8-11/h2-9,19H,1H3,(H,20,21)
InChIKeyJZGMIRARVXXVLK-UHFFFAOYSA-N
XLogP4.58
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[2-(4-chloro-3-fluorophenyl)-1H-imidazol-5-yl]-N-methylaniline 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-[2-(4-chloro-3-fluorophenyl)-1H-imidazol-5-yl]-N-methylaniline?
The IUPAC name of 4-[2-(4-chloro-3-fluorophenyl)-1H-imidazol-5-yl]-N-methylaniline (CID 131992559) is 4-[2-(4-chloro-3-fluorophenyl)-1H-imidazol-5-yl]-N-methylaniline.
What is the SMILES notation for 4-[2-(4-chloro-3-fluorophenyl)-1H-imidazol-5-yl]-N-methylaniline?
The canonical SMILES for 4-[2-(4-chloro-3-fluorophenyl)-1H-imidazol-5-yl]-N-methylaniline is CNc1ccc(-c2cnc(-c3ccc(Cl)c(F)c3)[nH]2)cc1.
What is the InChIKey of 4-[2-(4-chloro-3-fluorophenyl)-1H-imidazol-5-yl]-N-methylaniline?
The InChIKey is JZGMIRARVXXVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3/c1-19-12-5-2-10(3-6-12)15-9-20-16(21-15)11-4-7-13(17)14(18)8-11/h2-9,19H,1H3,(H,20,21).
What are the key properties of 4-[2-(4-chloro-3-fluorophenyl)-1H-imidazol-5-yl]-N-methylaniline?
4-[2-(4-chloro-3-fluorophenyl)-1H-imidazol-5-yl]-N-methylaniline has a molecular weight of 301.75 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloro-3-fluorophenyl)-1H-imidazol-5-yl]-N-methylaniline is sourced from PubChem (CID 131992559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).