5-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine

C17H15BrFN3 — CID 5007212

IUPAC5-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine
SMILESCn1c(-c2cccc(Br)c2)cnc1NCc1ccc(F)cc1
InChIInChI=1S/C17H15BrFN3/c1-22-16(13-3-2-4-14(18)9-13)11-21-17(22)20-10-12-5-7-15(19)8-6-12/h2-9,11H,10H2,1H3,(H,20,21)
InChIKeyIGPYJDOMALMEED-UHFFFAOYSA-N
MW360.23 g/mol
LogP4.60
Rot. Bonds4

About 5-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine

5-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine (PubChem CID 5007212) has the molecular formula C17H15BrFN3 and a molecular weight of 360.23 g/mol. Its IUPAC name is 5-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine
PubChem CID5007212
Molecular FormulaC17H15BrFN3
Molecular Weight360.23 g/mol
Exact Mass359.04
IUPAC Name5-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine
SMILESCn1c(-c2cccc(Br)c2)cnc1NCc1ccc(F)cc1
InChIInChI=1S/C17H15BrFN3/c1-22-16(13-3-2-4-14(18)9-13)11-21-17(22)20-10-12-5-7-15(19)8-6-12/h2-9,11H,10H2,1H3,(H,20,21)
InChIKeyIGPYJDOMALMEED-UHFFFAOYSA-N
XLogP4.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.23
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-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 5-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine?
The IUPAC name of 5-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine (CID 5007212) is 5-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine.
What is the SMILES notation for 5-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine?
The canonical SMILES for 5-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine is Cn1c(-c2cccc(Br)c2)cnc1NCc1ccc(F)cc1.
What is the InChIKey of 5-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine?
The InChIKey is IGPYJDOMALMEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN3/c1-22-16(13-3-2-4-14(18)9-13)11-21-17(22)20-10-12-5-7-15(19)8-6-12/h2-9,11H,10H2,1H3,(H,20,21).
What are the key properties of 5-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine?
5-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine has a molecular weight of 360.23 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-N-[(4-fluorophenyl)methyl]-1-methylimidazol-2-amine is sourced from PubChem (CID 5007212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).