5-(4-fluoro-2-methylphenyl)-2,3-di(propan-2-yl)imidazol-4-amine

C16H22FN3 — CID 62219616

IUPAC5-(4-fluoro-2-methylphenyl)-2,3-di(propan-2-yl)imidazol-4-amine
SMILESCc1cc(F)ccc1-c1nc(C(C)C)n(C(C)C)c1N
InChIInChI=1S/C16H22FN3/c1-9(2)16-19-14(15(18)20(16)10(3)4)13-7-6-12(17)8-11(13)5/h6-10H,18H2,1-5H3
InChIKeyAGJYPNYIRBUEKA-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.28
Rot. Bonds3

About 5-(4-fluoro-2-methylphenyl)-2,3-di(propan-2-yl)imidazol-4-amine

5-(4-fluoro-2-methylphenyl)-2,3-di(propan-2-yl)imidazol-4-amine (PubChem CID 62219616) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 5-(4-fluoro-2-methylphenyl)-2,3-di(propan-2-yl)imidazol-4-amine.

Molecular Properties

Compound Name5-(4-fluoro-2-methylphenyl)-2,3-di(propan-2-yl)imidazol-4-amine
PubChem CID62219616
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name5-(4-fluoro-2-methylphenyl)-2,3-di(propan-2-yl)imidazol-4-amine
SMILESCc1cc(F)ccc1-c1nc(C(C)C)n(C(C)C)c1N
InChIInChI=1S/C16H22FN3/c1-9(2)16-19-14(15(18)20(16)10(3)4)13-7-6-12(17)8-11(13)5/h6-10H,18H2,1-5H3
InChIKeyAGJYPNYIRBUEKA-UHFFFAOYSA-N
XLogP4.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-methylphenyl)-2,3-di(propan-2-yl)imidazol-4-amine?
The IUPAC name of 5-(4-fluoro-2-methylphenyl)-2,3-di(propan-2-yl)imidazol-4-amine (CID 62219616) is 5-(4-fluoro-2-methylphenyl)-2,3-di(propan-2-yl)imidazol-4-amine.
What is the SMILES notation for 5-(4-fluoro-2-methylphenyl)-2,3-di(propan-2-yl)imidazol-4-amine?
The canonical SMILES for 5-(4-fluoro-2-methylphenyl)-2,3-di(propan-2-yl)imidazol-4-amine is Cc1cc(F)ccc1-c1nc(C(C)C)n(C(C)C)c1N.
What is the InChIKey of 5-(4-fluoro-2-methylphenyl)-2,3-di(propan-2-yl)imidazol-4-amine?
The InChIKey is AGJYPNYIRBUEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-9(2)16-19-14(15(18)20(16)10(3)4)13-7-6-12(17)8-11(13)5/h6-10H,18H2,1-5H3.
What are the key properties of 5-(4-fluoro-2-methylphenyl)-2,3-di(propan-2-yl)imidazol-4-amine?
5-(4-fluoro-2-methylphenyl)-2,3-di(propan-2-yl)imidazol-4-amine has a molecular weight of 275.37 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-methylphenyl)-2,3-di(propan-2-yl)imidazol-4-amine is sourced from PubChem (CID 62219616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).