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

C14H12F3N3O — CID 107105125

IUPAC2-methyl-3-prop-2-ynyl-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine
SMILESC#CCn1c(C)nc(-c2cccc(OC(F)(F)F)c2)c1N
InChIInChI=1S/C14H12F3N3O/c1-3-7-20-9(2)19-12(13(20)18)10-5-4-6-11(8-10)21-14(15,16)17/h1,4-6,8H,7,18H2,2H3
InChIKeyWGKDYQBTEPPDOM-UHFFFAOYSA-N
MW295.26 g/mol
LogP2.97
Rot. Bonds3

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

2-methyl-3-prop-2-ynyl-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine (PubChem CID 107105125) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is 2-methyl-3-prop-2-ynyl-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine.

Molecular Properties

Compound Name2-methyl-3-prop-2-ynyl-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine
PubChem CID107105125
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC Name2-methyl-3-prop-2-ynyl-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine
SMILESC#CCn1c(C)nc(-c2cccc(OC(F)(F)F)c2)c1N
InChIInChI=1S/C14H12F3N3O/c1-3-7-20-9(2)19-12(13(20)18)10-5-4-6-11(8-10)21-14(15,16)17/h1,4-6,8H,7,18H2,2H3
InChIKeyWGKDYQBTEPPDOM-UHFFFAOYSA-N
XLogP2.97
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine
CID 107105132
2-methyl-5-phenyl-3-prop-2-ynylimidazol-4-amine
CID 53275789
5-(4-bromo-3-methylphenyl)-2-methyl-3-prop-2-ynylimidazol-4-amine
CID 66481657
2-methyl-3-[3-(trifluoromethoxy)phenyl]aniline
CID 107626546
2-cyclopropyl-5-(3-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine
CID 62218804
2-methyl-5-(3-propoxyphenyl)-3-propylimidazol-4-amine
CID 62496137
2-cyclopropyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine
CID 107105134
2-methyl-3-prop-2-ynyl-5-quinolin-8-ylimidazol-4-amine
CID 63970144
3-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine
CID 107105116
4-methyl-2,6-bis[3-(trifluoromethoxy)phenyl]aniline
CID 23628482
2-methyl-3-prop-2-enyl-5-(3-propoxyphenyl)imidazol-4-amine
CID 62498321
3-benzyl-2-methyl-5-(3-propoxyphenyl)imidazol-4-amine
CID 113229441

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-prop-2-ynyl-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine?
The IUPAC name of 2-methyl-3-prop-2-ynyl-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine (CID 107105125) is 2-methyl-3-prop-2-ynyl-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine.
What is the SMILES notation for 2-methyl-3-prop-2-ynyl-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine?
The canonical SMILES for 2-methyl-3-prop-2-ynyl-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine is C#CCn1c(C)nc(-c2cccc(OC(F)(F)F)c2)c1N.
What is the InChIKey of 2-methyl-3-prop-2-ynyl-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine?
The InChIKey is WGKDYQBTEPPDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c1-3-7-20-9(2)19-12(13(20)18)10-5-4-6-11(8-10)21-14(15,16)17/h1,4-6,8H,7,18H2,2H3.
What are the key properties of 2-methyl-3-prop-2-ynyl-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine?
2-methyl-3-prop-2-ynyl-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine has a molecular weight of 295.26 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-prop-2-ynyl-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine is sourced from PubChem (CID 107105125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).