5-[4-(difluoromethyl)phenyl]-3-methyl-2-propan-2-ylimidazol-4-amine

C14H17F2N3 — CID 115525227

IUPAC5-[4-(difluoromethyl)phenyl]-3-methyl-2-propan-2-ylimidazol-4-amine
SMILESCC(C)c1nc(-c2ccc(C(F)F)cc2)c(N)n1C
InChIInChI=1S/C14H17F2N3/c1-8(2)14-18-11(13(17)19(14)3)9-4-6-10(7-5-9)12(15)16/h4-8,12H,17H2,1-3H3
InChIKeyALCSZQDGPYKOKU-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.73
Rot. Bonds3

About 5-[4-(difluoromethyl)phenyl]-3-methyl-2-propan-2-ylimidazol-4-amine

5-[4-(difluoromethyl)phenyl]-3-methyl-2-propan-2-ylimidazol-4-amine (PubChem CID 115525227) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[4-(difluoromethyl)phenyl]-3-methyl-2-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name5-[4-(difluoromethyl)phenyl]-3-methyl-2-propan-2-ylimidazol-4-amine
PubChem CID115525227
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-[4-(difluoromethyl)phenyl]-3-methyl-2-propan-2-ylimidazol-4-amine
SMILESCC(C)c1nc(-c2ccc(C(F)F)cc2)c(N)n1C
InChIInChI=1S/C14H17F2N3/c1-8(2)14-18-11(13(17)19(14)3)9-4-6-10(7-5-9)12(15)16/h4-8,12H,17H2,1-3H3
InChIKeyALCSZQDGPYKOKU-UHFFFAOYSA-N
XLogP3.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluoro-3-methylphenyl)-3-methyl-2-propan-2-ylimidazol-4-amine
CID 62219778
4-[4-(difluoromethyl)phenyl]-2-methylimidazole-1,5-diamine
CID 113328558
5-[3-(difluoromethyl)phenyl]-3-ethyl-2-propan-2-ylimidazol-4-amine
CID 115528289
5-(5-chloro-2-fluorophenyl)-3-methyl-2-propan-2-ylimidazol-4-amine
CID 114859731
4-(4-methylphenyl)-2-propan-2-ylimidazole-1,5-diamine
CID 62507931
4-[4-(difluoromethyl)phenyl]-2-propan-2-yl-1,3-thiazol-5-amine
CID 115525260
3-methyl-5-(1-phenylpyrazol-4-yl)-2-propan-2-ylimidazol-4-amine
CID 62220880
3-cyclopropyl-5-[4-(difluoromethyl)phenyl]-2-methylimidazol-4-amine
CID 115525205
5-(2,3-dimethylphenyl)-3-methyl-2-propan-2-ylimidazol-4-amine
CID 62219257
3-ethyl-2-propan-2-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-amine
CID 62218375
5-(4-tert-butylphenyl)-3-ethyl-2-propan-2-ylimidazol-4-amine
CID 63469094
5-(1,5-dimethylpyrazol-4-yl)-3-methyl-2-propan-2-ylimidazol-4-amine
CID 79583562

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethyl)phenyl]-3-methyl-2-propan-2-ylimidazol-4-amine?
The IUPAC name of 5-[4-(difluoromethyl)phenyl]-3-methyl-2-propan-2-ylimidazol-4-amine (CID 115525227) is 5-[4-(difluoromethyl)phenyl]-3-methyl-2-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 5-[4-(difluoromethyl)phenyl]-3-methyl-2-propan-2-ylimidazol-4-amine?
The canonical SMILES for 5-[4-(difluoromethyl)phenyl]-3-methyl-2-propan-2-ylimidazol-4-amine is CC(C)c1nc(-c2ccc(C(F)F)cc2)c(N)n1C.
What is the InChIKey of 5-[4-(difluoromethyl)phenyl]-3-methyl-2-propan-2-ylimidazol-4-amine?
The InChIKey is ALCSZQDGPYKOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-8(2)14-18-11(13(17)19(14)3)9-4-6-10(7-5-9)12(15)16/h4-8,12H,17H2,1-3H3.
What are the key properties of 5-[4-(difluoromethyl)phenyl]-3-methyl-2-propan-2-ylimidazol-4-amine?
5-[4-(difluoromethyl)phenyl]-3-methyl-2-propan-2-ylimidazol-4-amine has a molecular weight of 265.31 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethyl)phenyl]-3-methyl-2-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 115525227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).