3-cyclopropyl-2-methyl-5-[2-(trifluoromethoxy)phenyl]imidazol-4-amine

C14H14F3N3O — CID 62224490

IUPAC3-cyclopropyl-2-methyl-5-[2-(trifluoromethoxy)phenyl]imidazol-4-amine
SMILESCc1nc(-c2ccccc2OC(F)(F)F)c(N)n1C1CC1
InChIInChI=1S/C14H14F3N3O/c1-8-19-12(13(18)20(8)9-6-7-9)10-4-2-3-5-11(10)21-14(15,16)17/h2-5,9H,6-7,18H2,1H3
InChIKeyONOIQBAPWWBTKI-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.67
Rot. Bonds3

About 3-cyclopropyl-2-methyl-5-[2-(trifluoromethoxy)phenyl]imidazol-4-amine

3-cyclopropyl-2-methyl-5-[2-(trifluoromethoxy)phenyl]imidazol-4-amine (PubChem CID 62224490) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 3-cyclopropyl-2-methyl-5-[2-(trifluoromethoxy)phenyl]imidazol-4-amine.

Molecular Properties

Compound Name3-cyclopropyl-2-methyl-5-[2-(trifluoromethoxy)phenyl]imidazol-4-amine
PubChem CID62224490
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name3-cyclopropyl-2-methyl-5-[2-(trifluoromethoxy)phenyl]imidazol-4-amine
SMILESCc1nc(-c2ccccc2OC(F)(F)F)c(N)n1C1CC1
InChIInChI=1S/C14H14F3N3O/c1-8-19-12(13(18)20(8)9-6-7-9)10-4-2-3-5-11(10)21-14(15,16)17/h2-5,9H,6-7,18H2,1H3
InChIKeyONOIQBAPWWBTKI-UHFFFAOYSA-N
XLogP3.67
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-2-methyl-5-phenylimidazol-4-amine
CID 53275781
3-cyclopropyl-5-(4-fluoro-2-methylphenyl)-2-methylimidazol-4-amine
CID 62225965
5,6-dimethyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 62204241
3-cyclopropyl-5-(2,6-dichlorophenyl)-2-methylimidazol-4-amine
CID 62224310
3-cyclopropyl-5-[4-(difluoromethyl)phenyl]-2-methylimidazol-4-amine
CID 115525205
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
5,6-dimethyl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrazine-2-thione
CID 106514817
1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
CID 69482191
2,4-dimethyl-6-[2-(trifluoromethoxy)phenyl]pyridine
CID 119020699
5-[2-(difluoromethoxy)phenyl]-2,3-dimethylimidazol-4-amine
CID 62226698
3-cyclopropyl-5-[4-(dimethylamino)phenyl]-2-methylimidazol-4-amine
CID 55047872
3-cyclopropyl-5-(3,5-dimethoxyphenyl)-2-methylimidazol-4-amine
CID 62224312

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-methyl-5-[2-(trifluoromethoxy)phenyl]imidazol-4-amine?
The IUPAC name of 3-cyclopropyl-2-methyl-5-[2-(trifluoromethoxy)phenyl]imidazol-4-amine (CID 62224490) is 3-cyclopropyl-2-methyl-5-[2-(trifluoromethoxy)phenyl]imidazol-4-amine.
What is the SMILES notation for 3-cyclopropyl-2-methyl-5-[2-(trifluoromethoxy)phenyl]imidazol-4-amine?
The canonical SMILES for 3-cyclopropyl-2-methyl-5-[2-(trifluoromethoxy)phenyl]imidazol-4-amine is Cc1nc(-c2ccccc2OC(F)(F)F)c(N)n1C1CC1.
What is the InChIKey of 3-cyclopropyl-2-methyl-5-[2-(trifluoromethoxy)phenyl]imidazol-4-amine?
The InChIKey is ONOIQBAPWWBTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-8-19-12(13(18)20(8)9-6-7-9)10-4-2-3-5-11(10)21-14(15,16)17/h2-5,9H,6-7,18H2,1H3.
What are the key properties of 3-cyclopropyl-2-methyl-5-[2-(trifluoromethoxy)phenyl]imidazol-4-amine?
3-cyclopropyl-2-methyl-5-[2-(trifluoromethoxy)phenyl]imidazol-4-amine has a molecular weight of 297.28 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-methyl-5-[2-(trifluoromethoxy)phenyl]imidazol-4-amine is sourced from PubChem (CID 62224490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).