3-cyclopropyl-5-(4-fluoro-2-methylphenyl)-2-methylimidazol-4-amine

C14H16FN3 — CID 62225965

IUPAC3-cyclopropyl-5-(4-fluoro-2-methylphenyl)-2-methylimidazol-4-amine
SMILESCc1cc(F)ccc1-c1nc(C)n(C2CC2)c1N
InChIInChI=1S/C14H16FN3/c1-8-7-10(15)3-6-12(8)13-14(16)18(9(2)17-13)11-4-5-11/h3,6-7,11H,4-5,16H2,1-2H3
InChIKeyRAXLICMBURIJKF-UHFFFAOYSA-N
MW245.30 g/mol
LogP3.22
Rot. Bonds2

About 3-cyclopropyl-5-(4-fluoro-2-methylphenyl)-2-methylimidazol-4-amine

3-cyclopropyl-5-(4-fluoro-2-methylphenyl)-2-methylimidazol-4-amine (PubChem CID 62225965) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 3-cyclopropyl-5-(4-fluoro-2-methylphenyl)-2-methylimidazol-4-amine.

Molecular Properties

Compound Name3-cyclopropyl-5-(4-fluoro-2-methylphenyl)-2-methylimidazol-4-amine
PubChem CID62225965
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name3-cyclopropyl-5-(4-fluoro-2-methylphenyl)-2-methylimidazol-4-amine
SMILESCc1cc(F)ccc1-c1nc(C)n(C2CC2)c1N
InChIInChI=1S/C14H16FN3/c1-8-7-10(15)3-6-12(8)13-14(16)18(9(2)17-13)11-4-5-11/h3,6-7,11H,4-5,16H2,1-2H3
InChIKeyRAXLICMBURIJKF-UHFFFAOYSA-N
XLogP3.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(4-fluoro-2-methylphenyl)-2-methylimidazol-4-amine?
The IUPAC name of 3-cyclopropyl-5-(4-fluoro-2-methylphenyl)-2-methylimidazol-4-amine (CID 62225965) is 3-cyclopropyl-5-(4-fluoro-2-methylphenyl)-2-methylimidazol-4-amine.
What is the SMILES notation for 3-cyclopropyl-5-(4-fluoro-2-methylphenyl)-2-methylimidazol-4-amine?
The canonical SMILES for 3-cyclopropyl-5-(4-fluoro-2-methylphenyl)-2-methylimidazol-4-amine is Cc1cc(F)ccc1-c1nc(C)n(C2CC2)c1N.
What is the InChIKey of 3-cyclopropyl-5-(4-fluoro-2-methylphenyl)-2-methylimidazol-4-amine?
The InChIKey is RAXLICMBURIJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-8-7-10(15)3-6-12(8)13-14(16)18(9(2)17-13)11-4-5-11/h3,6-7,11H,4-5,16H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-(4-fluoro-2-methylphenyl)-2-methylimidazol-4-amine?
3-cyclopropyl-5-(4-fluoro-2-methylphenyl)-2-methylimidazol-4-amine has a molecular weight of 245.30 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(4-fluoro-2-methylphenyl)-2-methylimidazol-4-amine is sourced from PubChem (CID 62225965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).