2-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine

C9H15F3N4 — CID 114997059

IUPAC2-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine
SMILESCc1nc(N(CC(F)(F)F)C(C)C)c(N)[nH]1
InChIInChI=1S/C9H15F3N4/c1-5(2)16(4-9(10,11)12)8-7(13)14-6(3)15-8/h5H,4,13H2,1-3H3,(H,14,15)
InChIKeyMGWPMSISYMMFLK-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.08
Rot. Bonds3

About 2-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine

2-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine (PubChem CID 114997059) has the molecular formula C9H15F3N4 and a molecular weight of 236.24 g/mol. Its IUPAC name is 2-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine.

Molecular Properties

Compound Name2-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine
PubChem CID114997059
Molecular FormulaC9H15F3N4
Molecular Weight236.24 g/mol
Exact Mass236.12
IUPAC Name2-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine
SMILESCc1nc(N(CC(F)(F)F)C(C)C)c(N)[nH]1
InChIInChI=1S/C9H15F3N4/c1-5(2)16(4-9(10,11)12)8-7(13)14-6(3)15-8/h5H,4,13H2,1-3H3,(H,14,15)
InChIKeyMGWPMSISYMMFLK-UHFFFAOYSA-N
XLogP2.08
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-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-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-imidazol-5-amine
CID 55141938
2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine
CID 114995462
4-N-ethyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine
CID 114995764
4-N,2-dimethyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine
CID 114996061
2-methyl-4-N-propyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine
CID 114997058
4-N-cyclopropyl-2-methyl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine
CID 114997921
N5,2-Dimethyl-1H-imidazole-4,5-diamine
CID 82234691
N-[2-methyl-4-(methylideneamino)-1H-imidazol-5-yl]propan-2-imine
CID 91008120
N-[2-methyl-4-(methylideneamino)-1H-imidazol-5-yl]propan-1-imine
CID 123721929
2-methyl-4-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-imidazole-4,5-diamine
CID 55011999
4-N-[2-[di(propan-2-yl)amino]ethyl]-2-methyl-1H-imidazole-4,5-diamine
CID 55012040
4-N-[5-(diethylamino)pentan-2-yl]-2-methyl-1H-imidazole-4,5-diamine
CID 55012184

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine?
The IUPAC name of 2-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine (CID 114997059) is 2-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine.
What is the SMILES notation for 2-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine?
The canonical SMILES for 2-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine is Cc1nc(N(CC(F)(F)F)C(C)C)c(N)[nH]1.
What is the InChIKey of 2-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine?
The InChIKey is MGWPMSISYMMFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4/c1-5(2)16(4-9(10,11)12)8-7(13)14-6(3)15-8/h5H,4,13H2,1-3H3,(H,14,15).
What are the key properties of 2-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine?
2-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine has a molecular weight of 236.24 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-diamine is sourced from PubChem (CID 114997059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).