5-(4-fluoro-3-methylphenyl)-3-methyl-2-propan-2-ylimidazol-4-amine

C14H18FN3 — CID 62219778

IUPAC5-(4-fluoro-3-methylphenyl)-3-methyl-2-propan-2-ylimidazol-4-amine
SMILESCc1cc(-c2nc(C(C)C)n(C)c2N)ccc1F
InChIInChI=1S/C14H18FN3/c1-8(2)14-17-12(13(16)18(14)4)10-5-6-11(15)9(3)7-10/h5-8H,16H2,1-4H3
InChIKeyYJOWPYCNGHSVIT-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.24
Rot. Bonds2

About 5-(4-fluoro-3-methylphenyl)-3-methyl-2-propan-2-ylimidazol-4-amine

5-(4-fluoro-3-methylphenyl)-3-methyl-2-propan-2-ylimidazol-4-amine (PubChem CID 62219778) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylphenyl)-3-methyl-2-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name5-(4-fluoro-3-methylphenyl)-3-methyl-2-propan-2-ylimidazol-4-amine
PubChem CID62219778
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name5-(4-fluoro-3-methylphenyl)-3-methyl-2-propan-2-ylimidazol-4-amine
SMILESCc1cc(-c2nc(C(C)C)n(C)c2N)ccc1F
InChIInChI=1S/C14H18FN3/c1-8(2)14-17-12(13(16)18(14)4)10-5-6-11(15)9(3)7-10/h5-8H,16H2,1-4H3
InChIKeyYJOWPYCNGHSVIT-UHFFFAOYSA-N
XLogP3.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methylphenyl)-3-methyl-2-propan-2-ylimidazol-4-amine?
The IUPAC name of 5-(4-fluoro-3-methylphenyl)-3-methyl-2-propan-2-ylimidazol-4-amine (CID 62219778) is 5-(4-fluoro-3-methylphenyl)-3-methyl-2-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 5-(4-fluoro-3-methylphenyl)-3-methyl-2-propan-2-ylimidazol-4-amine?
The canonical SMILES for 5-(4-fluoro-3-methylphenyl)-3-methyl-2-propan-2-ylimidazol-4-amine is Cc1cc(-c2nc(C(C)C)n(C)c2N)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methylphenyl)-3-methyl-2-propan-2-ylimidazol-4-amine?
The InChIKey is YJOWPYCNGHSVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-8(2)14-17-12(13(16)18(14)4)10-5-6-11(15)9(3)7-10/h5-8H,16H2,1-4H3.
What are the key properties of 5-(4-fluoro-3-methylphenyl)-3-methyl-2-propan-2-ylimidazol-4-amine?
5-(4-fluoro-3-methylphenyl)-3-methyl-2-propan-2-ylimidazol-4-amine has a molecular weight of 247.32 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methylphenyl)-3-methyl-2-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 62219778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).