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

C11H11F3N4O — CID 107105132

IUPAC2-methyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine
SMILESCc1nc(-c2cccc(OC(F)(F)F)c2)c(N)n1N
InChIInChI=1S/C11H11F3N4O/c1-6-17-9(10(15)18(6)16)7-3-2-4-8(5-7)19-11(12,13)14/h2-5H,15-16H2,1H3
InChIKeyBETAOSPEYDJYKL-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.05
Rot. Bonds2

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

2-methyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine (PubChem CID 107105132) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is 2-methyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine.

Molecular Properties

Compound Name2-methyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine
PubChem CID107105132
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC Name2-methyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine
SMILESCc1nc(-c2cccc(OC(F)(F)F)c2)c(N)n1N
InChIInChI=1S/C11H11F3N4O/c1-6-17-9(10(15)18(6)16)7-3-2-4-8(5-7)19-11(12,13)14/h2-5H,15-16H2,1H3
InChIKeyBETAOSPEYDJYKL-UHFFFAOYSA-N
XLogP2.05
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-prop-2-ynyl-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine
CID 107105125
2-cyclopropyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine
CID 107105134
2-methyl-3-[3-(trifluoromethoxy)phenyl]aniline
CID 107626546
4-methyl-2,6-bis[3-(trifluoromethoxy)phenyl]aniline
CID 23628482
2-methyl-4-[3-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086749
3-(2-methylpropyl)-5-[3-(trifluoromethoxy)phenyl]imidazol-4-amine
CID 107105116
2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline
CID 134624108
4-(3-fluoro-4-methylphenyl)-2-methylimidazole-1,5-diamine
CID 63645352
4-methoxy-2-[3-(trifluoromethoxy)phenyl]aniline
CID 156613139
5-iodo-6-methyl-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 107105171
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807
3-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline
CID 134624116

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine?
The IUPAC name of 2-methyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine (CID 107105132) is 2-methyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine.
What is the SMILES notation for 2-methyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine?
The canonical SMILES for 2-methyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine is Cc1nc(-c2cccc(OC(F)(F)F)c2)c(N)n1N.
What is the InChIKey of 2-methyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine?
The InChIKey is BETAOSPEYDJYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c1-6-17-9(10(15)18(6)16)7-3-2-4-8(5-7)19-11(12,13)14/h2-5H,15-16H2,1H3.
What are the key properties of 2-methyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine?
2-methyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine has a molecular weight of 272.23 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-(trifluoromethoxy)phenyl]imidazole-1,5-diamine is sourced from PubChem (CID 107105132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).