1-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]propan-2-amine

C9H16FN3 — CID 84769786

IUPAC1-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]propan-2-amine
SMILESCC(N)Cc1ncc(C(C)(C)F)[nH]1
InChIInChI=1S/C9H16FN3/c1-6(11)4-8-12-5-7(13-8)9(2,3)10/h5-6H,4,11H2,1-3H3,(H,12,13)
InChIKeyXONLZQIBZMXRDO-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.50
Rot. Bonds3

About 1-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]propan-2-amine

1-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]propan-2-amine (PubChem CID 84769786) has the molecular formula C9H16FN3 and a molecular weight of 185.25 g/mol. Its IUPAC name is 1-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]propan-2-amine
PubChem CID84769786
Molecular FormulaC9H16FN3
Molecular Weight185.25 g/mol
Exact Mass185.13
IUPAC Name1-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]propan-2-amine
SMILESCC(N)Cc1ncc(C(C)(C)F)[nH]1
InChIInChI=1S/C9H16FN3/c1-6(11)4-8-12-5-7(13-8)9(2,3)10/h5-6H,4,11H2,1-3H3,(H,12,13)
InChIKeyXONLZQIBZMXRDO-UHFFFAOYSA-N
XLogP1.50
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]propan-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

Related Compounds

1-(5-bromo-1H-imidazol-2-yl)propan-2-amine
CID 83881752
5-tert-butyl-2-(fluoromethyl)-1H-imidazole
CID 166928493
(5-tert-butyl-1H-imidazol-2-yl)methanamine
CID 43649269
1-[4-(1,1-difluoroethyl)-5-methyl-1H-imidazol-2-yl]propan-2-amine
CID 84777157
1-(5-phenyl-1H-imidazol-2-yl)propan-2-amine
CID 60840875
1-[5-(1,1-difluoroethyl)-1H-imidazol-2-yl]ethanamine
CID 84766816
1-[5-(4-phenylphenyl)-1H-imidazol-2-yl]propan-2-amine
CID 60842314
2-(2-aminopropyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 83699172
2-[5-(trifluoromethyl)-1H-imidazol-2-yl]ethanamine;hydrochloride
CID 71283927
N-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine
CID 43651395
1-[2-(difluoromethyl)-1H-imidazol-5-yl]propan-2-amine
CID 84766825
5-tert-butyl-2-(propan-2-yloxymethyl)-1H-imidazole
CID 134553699

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]propan-2-amine?
The IUPAC name of 1-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]propan-2-amine (CID 84769786) is 1-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]propan-2-amine?
The canonical SMILES for 1-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]propan-2-amine is CC(N)Cc1ncc(C(C)(C)F)[nH]1.
What is the InChIKey of 1-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]propan-2-amine?
The InChIKey is XONLZQIBZMXRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN3/c1-6(11)4-8-12-5-7(13-8)9(2,3)10/h5-6H,4,11H2,1-3H3,(H,12,13).
What are the key properties of 1-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]propan-2-amine?
1-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]propan-2-amine has a molecular weight of 185.25 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluoropropan-2-yl)-1H-imidazol-2-yl]propan-2-amine is sourced from PubChem (CID 84769786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).