1-[(1S)-1-phenylethyl]imidazol-4-amine

C11H13N3 — CID 101471354

IUPAC1-[(1S)-1-phenylethyl]imidazol-4-amine
SMILESC[C@@H](c1ccccc1)n1cnc(N)c1
InChIInChI=1S/C11H13N3/c1-9(10-5-3-2-4-6-10)14-7-11(12)13-8-14/h2-9H,12H2,1H3/t9-/m0/s1
InChIKeyISUMOTWJMGYBKU-VIFPVBQESA-N
MW187.25 g/mol
LogP2.07
Rot. Bonds2

About 1-[(1S)-1-phenylethyl]imidazol-4-amine

1-[(1S)-1-phenylethyl]imidazol-4-amine (PubChem CID 101471354) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 1-[(1S)-1-phenylethyl]imidazol-4-amine.

Molecular Properties

Compound Name1-[(1S)-1-phenylethyl]imidazol-4-amine
PubChem CID101471354
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name1-[(1S)-1-phenylethyl]imidazol-4-amine
SMILESC[C@@H](c1ccccc1)n1cnc(N)c1
InChIInChI=1S/C11H13N3/c1-9(10-5-3-2-4-6-10)14-7-11(12)13-8-14/h2-9H,12H2,1H3/t9-/m0/s1
InChIKeyISUMOTWJMGYBKU-VIFPVBQESA-N
XLogP2.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1S)-1-phenylethyl]imidazol-4-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-[1-(4-fluorophenyl)ethyl]imidazol-4-amine
CID 139348686
1-(1-phenylethyl)-4-propan-2-ylimidazole
CID 134380000
1-[(1S)-1-phenylethyl]imidazole-4-carbaldehyde
CID 166520514
2-(4-aminoimidazol-1-yl)propanenitrile
CID 165466015
1-[(1S)-1-phenylethyl]benzimidazol-5-amine
CID 687989
methanesulfonic acid;1-(1-phenylethyl)imidazole
CID 174969600
(2S,3S)-2-(4-aminoimidazol-1-yl)-3-methylpentanoic acid
CID 82398963
1-(1-phenylethyl)tetrazol-5-amine
CID 19981424
3,4-dimethyl-1-(1-phenylethyl)pyrazole;ethane
CID 145058285
4-methyl-1-(1-phenylethyl)pyrazol-5-amine
CID 43148081
1-[(1S)-1-phenylethyl]triazole
CID 175706857
5,6-difluoro-1-(1-phenylethyl)benzimidazole
CID 116620795

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-phenylethyl]imidazol-4-amine?
The IUPAC name of 1-[(1S)-1-phenylethyl]imidazol-4-amine (CID 101471354) is 1-[(1S)-1-phenylethyl]imidazol-4-amine.
What is the SMILES notation for 1-[(1S)-1-phenylethyl]imidazol-4-amine?
The canonical SMILES for 1-[(1S)-1-phenylethyl]imidazol-4-amine is C[C@@H](c1ccccc1)n1cnc(N)c1.
What is the InChIKey of 1-[(1S)-1-phenylethyl]imidazol-4-amine?
The InChIKey is ISUMOTWJMGYBKU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13N3/c1-9(10-5-3-2-4-6-10)14-7-11(12)13-8-14/h2-9H,12H2,1H3/t9-/m0/s1.
What are the key properties of 1-[(1S)-1-phenylethyl]imidazol-4-amine?
1-[(1S)-1-phenylethyl]imidazol-4-amine has a molecular weight of 187.25 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-phenylethyl]imidazol-4-amine is sourced from PubChem (CID 101471354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).