2-cyclopropyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine

C13H13F3N4O — CID 107105134

IUPAC2-cyclopropyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine
SMILESNc1c(-c2cccc(OC(F)(F)F)c2)nc(C2CC2)n1N
InChIInChI=1S/C13H13F3N4O/c14-13(15,16)21-9-3-1-2-8(6-9)10-11(17)20(18)12(19-10)7-4-5-7/h1-3,6-7H,4-5,17-18H2
InChIKeyXHKTWKISUIFHCW-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.62
Rot. Bonds3

About 2-cyclopropyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine

2-cyclopropyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine (PubChem CID 107105134) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is 2-cyclopropyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine
PubChem CID107105134
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name2-cyclopropyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine
SMILESNc1c(-c2cccc(OC(F)(F)F)c2)nc(C2CC2)n1N
InChIInChI=1S/C13H13F3N4O/c14-13(15,16)21-9-3-1-2-8(6-9)10-11(17)20(18)12(19-10)7-4-5-7/h1-3,6-7H,4-5,17-18H2
InChIKeyXHKTWKISUIFHCW-UHFFFAOYSA-N
XLogP2.62
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine
CID 107105132
2-cyclopropyl-4-(3-propoxyphenyl)imidazole-1,5-diamine
CID 62498323
2-methyl-3-prop-2-ynyl-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine
CID 107105125
4-cyclohexyl-5-[3-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 68632642
2-cyclopropyl-5-(3-methoxyphenyl)-3-prop-2-ynylimidazol-4-amine
CID 62218804
2-cyclopentyl-4-(3,4-dimethylphenyl)imidazole-1,5-diamine
CID 62506108
4-(3-bromo-4-fluorophenyl)-2-cyclohexylimidazole-1,5-diamine
CID 63468040
2-cyclohexyl-4-(4-fluoro-3-methylphenyl)imidazole-1,5-diamine
CID 62506115
5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 22326853
2-tert-butyl-4-(3-cyclopropylphenyl)imidazole-1,5-diamine
CID 79980757
2-cyclopropyl-4-(2,4-dimethoxyphenyl)imidazole-1,5-diamine
CID 62483621
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine?
The IUPAC name of 2-cyclopropyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine (CID 107105134) is 2-cyclopropyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine.
What is the SMILES notation for 2-cyclopropyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine?
The canonical SMILES for 2-cyclopropyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine is Nc1c(-c2cccc(OC(F)(F)F)c2)nc(C2CC2)n1N.
What is the InChIKey of 2-cyclopropyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine?
The InChIKey is XHKTWKISUIFHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c14-13(15,16)21-9-3-1-2-8(6-9)10-11(17)20(18)12(19-10)7-4-5-7/h1-3,6-7H,4-5,17-18H2.
What are the key properties of 2-cyclopropyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine?
2-cyclopropyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine has a molecular weight of 298.27 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine is sourced from PubChem (CID 107105134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).