N-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine

C18H17ClFN3 — CID 3642847

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine
SMILESCc1ccc(-c2cnc(NCc3c(F)cccc3Cl)n2C)cc1
InChIInChI=1S/C18H17ClFN3/c1-12-6-8-13(9-7-12)17-11-22-18(23(17)2)21-10-14-15(19)4-3-5-16(14)20/h3-9,11H,10H2,1-2H3,(H,21,22)
InChIKeyQQTRLGFVPIADFG-UHFFFAOYSA-N
MW329.81 g/mol
LogP4.80
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine

N-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine (PubChem CID 3642847) has the molecular formula C18H17ClFN3 and a molecular weight of 329.81 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine
PubChem CID3642847
Molecular FormulaC18H17ClFN3
Molecular Weight329.81 g/mol
Exact Mass329.11
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine
SMILESCc1ccc(-c2cnc(NCc3c(F)cccc3Cl)n2C)cc1
InChIInChI=1S/C18H17ClFN3/c1-12-6-8-13(9-7-12)17-11-22-18(23(17)2)21-10-14-15(19)4-3-5-16(14)20/h3-9,11H,10H2,1-2H3,(H,21,22)
InChIKeyQQTRLGFVPIADFG-UHFFFAOYSA-N
XLogP4.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine 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 N-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine (CID 3642847) is N-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine is Cc1ccc(-c2cnc(NCc3c(F)cccc3Cl)n2C)cc1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine?
The InChIKey is QQTRLGFVPIADFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3/c1-12-6-8-13(9-7-12)17-11-22-18(23(17)2)21-10-14-15(19)4-3-5-16(14)20/h3-9,11H,10H2,1-2H3,(H,21,22).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine?
N-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine has a molecular weight of 329.81 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-5-(4-methylphenyl)imidazol-2-amine is sourced from PubChem (CID 3642847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).