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

C14H16F3N3O — CID 107105116

IUPAC3-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine
SMILESCC(C)Cn1cnc(-c2cccc(OC(F)(F)F)c2)c1N
InChIInChI=1S/C14H16F3N3O/c1-9(2)7-20-8-19-12(13(20)18)10-4-3-5-11(6-10)21-14(15,16)17/h3-6,8-9H,7,18H2,1-2H3
InChIKeyGRLVYYMZZDPJNA-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.69
Rot. Bonds4

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

3-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine (PubChem CID 107105116) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 3-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine.

Molecular Properties

Compound Name3-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine
PubChem CID107105116
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name3-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine
SMILESCC(C)Cn1cnc(-c2cccc(OC(F)(F)F)c2)c1N
InChIInChI=1S/C14H16F3N3O/c1-9(2)7-20-8-19-12(13(20)18)10-4-3-5-11(6-10)21-14(15,16)17/h3-6,8-9H,7,18H2,1-2H3
InChIKeyGRLVYYMZZDPJNA-UHFFFAOYSA-N
XLogP3.69
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-difluorophenyl)-3-(2-methylpropyl)imidazol-4-amine
CID 62017750
3-butyl-5-(3-propan-2-yloxyphenyl)imidazol-4-amine
CID 62017559
2-methyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine
CID 107105132
2-methyl-4-[3-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086749
4-(3-ethoxyphenyl)imidazole-1,5-diamine
CID 62482761
5-(2-fluorophenyl)-3-(2-methylpropyl)imidazol-4-amine
CID 62017942
2-methyl-3-prop-2-ynyl-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine
CID 107105125
5-(2,3-dimethylphenyl)-3-(2-methylpropyl)imidazol-4-amine
CID 62019250
5-(1-methyl-2,3-dihydroindol-5-yl)-3-(2-methylpropyl)imidazol-4-amine
CID 62095299
[5-amino-6-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 133086826
4-methyl-2,6-bis[3-(trifluoromethoxy)phenyl]aniline
CID 23628482
6-methoxy-5-[3-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086740

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine?
The IUPAC name of 3-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine (CID 107105116) is 3-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine.
What is the SMILES notation for 3-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine?
The canonical SMILES for 3-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine is CC(C)Cn1cnc(-c2cccc(OC(F)(F)F)c2)c1N.
What is the InChIKey of 3-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine?
The InChIKey is GRLVYYMZZDPJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-9(2)7-20-8-19-12(13(20)18)10-4-3-5-11(6-10)21-14(15,16)17/h3-6,8-9H,7,18H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine?
3-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine has a molecular weight of 299.30 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine is sourced from PubChem (CID 107105116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).