4-(3-fluoro-4-methylphenyl)-2-methylimidazole-1,5-diamine

C11H13FN4 — CID 63645352

IUPAC4-(3-fluoro-4-methylphenyl)-2-methylimidazole-1,5-diamine
SMILESCc1ccc(-c2nc(C)n(N)c2N)cc1F
InChIInChI=1S/C11H13FN4/c1-6-3-4-8(5-9(6)12)10-11(13)16(14)7(2)15-10/h3-5H,13-14H2,1-2H3
InChIKeyOLNBGTZJNZBKSH-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.60
Rot. Bonds1

About 4-(3-fluoro-4-methylphenyl)-2-methylimidazole-1,5-diamine

4-(3-fluoro-4-methylphenyl)-2-methylimidazole-1,5-diamine (PubChem CID 63645352) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 4-(3-fluoro-4-methylphenyl)-2-methylimidazole-1,5-diamine.

Molecular Properties

Compound Name4-(3-fluoro-4-methylphenyl)-2-methylimidazole-1,5-diamine
PubChem CID63645352
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name4-(3-fluoro-4-methylphenyl)-2-methylimidazole-1,5-diamine
SMILESCc1ccc(-c2nc(C)n(N)c2N)cc1F
InChIInChI=1S/C11H13FN4/c1-6-3-4-8(5-9(6)12)10-11(13)16(14)7(2)15-10/h3-5H,13-14H2,1-2H3
InChIKeyOLNBGTZJNZBKSH-UHFFFAOYSA-N
XLogP1.60
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3-fluoro-4-methylphenyl)-2-methylimidazole-1,5-diamine 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-(3-fluoro-4-methylphenyl)-2-methylimidazole-1,5-diamine?
The IUPAC name of 4-(3-fluoro-4-methylphenyl)-2-methylimidazole-1,5-diamine (CID 63645352) is 4-(3-fluoro-4-methylphenyl)-2-methylimidazole-1,5-diamine.
What is the SMILES notation for 4-(3-fluoro-4-methylphenyl)-2-methylimidazole-1,5-diamine?
The canonical SMILES for 4-(3-fluoro-4-methylphenyl)-2-methylimidazole-1,5-diamine is Cc1ccc(-c2nc(C)n(N)c2N)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methylphenyl)-2-methylimidazole-1,5-diamine?
The InChIKey is OLNBGTZJNZBKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-6-3-4-8(5-9(6)12)10-11(13)16(14)7(2)15-10/h3-5H,13-14H2,1-2H3.
What are the key properties of 4-(3-fluoro-4-methylphenyl)-2-methylimidazole-1,5-diamine?
4-(3-fluoro-4-methylphenyl)-2-methylimidazole-1,5-diamine has a molecular weight of 220.25 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methylphenyl)-2-methylimidazole-1,5-diamine is sourced from PubChem (CID 63645352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).