3-tert-butyl-2-cyclopropyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine

C17H22FN3 — CID 62219308

IUPAC3-tert-butyl-2-cyclopropyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine
SMILESCc1cc(F)ccc1-c1nc(C2CC2)n(C(C)(C)C)c1N
InChIInChI=1S/C17H22FN3/c1-10-9-12(18)7-8-13(10)14-15(19)21(17(2,3)4)16(20-14)11-5-6-11/h7-9,11H,5-6,19H2,1-4H3
InChIKeyVUWZOEHUOPGKNE-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.21
Rot. Bonds2

About 3-tert-butyl-2-cyclopropyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine

3-tert-butyl-2-cyclopropyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine (PubChem CID 62219308) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-tert-butyl-2-cyclopropyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine.

Molecular Properties

Compound Name3-tert-butyl-2-cyclopropyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine
PubChem CID62219308
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name3-tert-butyl-2-cyclopropyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine
SMILESCc1cc(F)ccc1-c1nc(C2CC2)n(C(C)(C)C)c1N
InChIInChI=1S/C17H22FN3/c1-10-9-12(18)7-8-13(10)14-15(19)21(17(2,3)4)16(20-14)11-5-6-11/h7-9,11H,5-6,19H2,1-4H3
InChIKeyVUWZOEHUOPGKNE-UHFFFAOYSA-N
XLogP4.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-cyclopropyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine?
The IUPAC name of 3-tert-butyl-2-cyclopropyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine (CID 62219308) is 3-tert-butyl-2-cyclopropyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine.
What is the SMILES notation for 3-tert-butyl-2-cyclopropyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine?
The canonical SMILES for 3-tert-butyl-2-cyclopropyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine is Cc1cc(F)ccc1-c1nc(C2CC2)n(C(C)(C)C)c1N.
What is the InChIKey of 3-tert-butyl-2-cyclopropyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine?
The InChIKey is VUWZOEHUOPGKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-10-9-12(18)7-8-13(10)14-15(19)21(17(2,3)4)16(20-14)11-5-6-11/h7-9,11H,5-6,19H2,1-4H3.
What are the key properties of 3-tert-butyl-2-cyclopropyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine?
3-tert-butyl-2-cyclopropyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine has a molecular weight of 287.38 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-cyclopropyl-5-(4-fluoro-2-methylphenyl)imidazol-4-amine is sourced from PubChem (CID 62219308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).