1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylimidazol-2-amine

C14H13F4N3 — CID 106563755

IUPAC1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylimidazol-2-amine
SMILESCc1cn(C2CC2)c(Nc2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C14H13F4N3/c1-8-7-21(10-3-4-10)13(19-8)20-9-2-5-12(15)11(6-9)14(16,17)18/h2,5-7,10H,3-4H2,1H3,(H,19,20)
InChIKeyUODHARVCHVPJOP-UHFFFAOYSA-N
MW299.27 g/mol
LogP4.43
Rot. Bonds3

About 1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylimidazol-2-amine

1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylimidazol-2-amine (PubChem CID 106563755) has the molecular formula C14H13F4N3 and a molecular weight of 299.27 g/mol. Its IUPAC name is 1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylimidazol-2-amine
PubChem CID106563755
Molecular FormulaC14H13F4N3
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Name1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylimidazol-2-amine
SMILESCc1cn(C2CC2)c(Nc2ccc(F)c(C(F)(F)F)c2)n1
InChIInChI=1S/C14H13F4N3/c1-8-7-21(10-3-4-10)13(19-8)20-9-2-5-12(15)11(6-9)14(16,17)18/h2,5-7,10H,3-4H2,1H3,(H,19,20)
InChIKeyUODHARVCHVPJOP-UHFFFAOYSA-N
XLogP4.43
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-(3,4-difluorophenyl)-4-methylimidazol-2-amine
CID 106558163
N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106563756
N-(4-bromo-3-fluorophenyl)-1-cyclohexyl-4-methylimidazol-2-amine
CID 106574225
1-cyclopentyl-N-(3-fluoro-4-methoxyphenyl)-4-methylimidazol-2-amine
CID 106561849
N-(1-cyclopropyl-4-methylimidazol-2-yl)-5-fluoropyridin-3-amine
CID 114254403
N-(3-chloro-5-fluorophenyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 107371322
N-(3-bromo-4-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine
CID 106572988
N-(4-bromo-3-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine
CID 106557012
1-cyclopropyl-4-methyl-N-(1-methylpyrazol-4-yl)imidazol-2-amine
CID 106562129
1-cyclopropyl-N-(4-fluoro-2-iodophenyl)-4-methylimidazol-2-amine
CID 106576412
1-cyclohexyl-N-(3-fluoro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106564039
2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine
CID 81132199

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylimidazol-2-amine?
The IUPAC name of 1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylimidazol-2-amine (CID 106563755) is 1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylimidazol-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylimidazol-2-amine?
The canonical SMILES for 1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylimidazol-2-amine is Cc1cn(C2CC2)c(Nc2ccc(F)c(C(F)(F)F)c2)n1.
What is the InChIKey of 1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylimidazol-2-amine?
The InChIKey is UODHARVCHVPJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3/c1-8-7-21(10-3-4-10)13(19-8)20-9-2-5-12(15)11(6-9)14(16,17)18/h2,5-7,10H,3-4H2,1H3,(H,19,20).
What are the key properties of 1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylimidazol-2-amine?
1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylimidazol-2-amine has a molecular weight of 299.27 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methylimidazol-2-amine is sourced from PubChem (CID 106563755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).