4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-amine

C7H12FN3 — CID 84763870

IUPAC4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-amine
SMILESCc1[nH]c(N)nc1C(C)(C)F
InChIInChI=1S/C7H12FN3/c1-4-5(7(2,3)8)11-6(9)10-4/h1-3H3,(H3,9,10,11)
InChIKeyIHPRLDPMWGUNCM-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.50
Rot. Bonds1

About 4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-amine

4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-amine (PubChem CID 84763870) has the molecular formula C7H12FN3 and a molecular weight of 157.19 g/mol. Its IUPAC name is 4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-amine.

Molecular Properties

Compound Name4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-amine
PubChem CID84763870
Molecular FormulaC7H12FN3
Molecular Weight157.19 g/mol
Exact Mass157.10
IUPAC Name4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-amine
SMILESCc1[nH]c(N)nc1C(C)(C)F
InChIInChI=1S/C7H12FN3/c1-4-5(7(2,3)8)11-6(9)10-4/h1-3H3,(H3,9,10,11)
InChIKeyIHPRLDPMWGUNCM-UHFFFAOYSA-N
XLogP1.50
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-amine?
The IUPAC name of 4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-amine (CID 84763870) is 4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-amine.
What is the SMILES notation for 4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-amine?
The canonical SMILES for 4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-amine is Cc1[nH]c(N)nc1C(C)(C)F.
What is the InChIKey of 4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-amine?
The InChIKey is IHPRLDPMWGUNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3/c1-4-5(7(2,3)8)11-6(9)10-4/h1-3H3,(H3,9,10,11).
What are the key properties of 4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-amine?
4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-amine has a molecular weight of 157.19 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropan-2-yl)-5-methyl-1H-imidazol-2-amine is sourced from PubChem (CID 84763870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).