2-imidazol-1-yl-1-phenylethanamine

C11H13N3 — CID 5195236

IUPAC2-imidazol-1-yl-1-phenylethanamine
SMILESNC(Cn1ccnc1)c1ccccc1
InChIInChI=1S/C11H13N3/c12-11(8-14-7-6-13-9-14)10-4-2-1-3-5-10/h1-7,9,11H,8,12H2
InChIKeyNYQHWEIQMDYXSR-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.58
Rot. Bonds3

About 2-imidazol-1-yl-1-phenylethanamine

2-imidazol-1-yl-1-phenylethanamine (PubChem CID 5195236) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-phenylethanamine.

Molecular Properties

Compound Name2-imidazol-1-yl-1-phenylethanamine
PubChem CID5195236
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name2-imidazol-1-yl-1-phenylethanamine
SMILESNC(Cn1ccnc1)c1ccccc1
InChIInChI=1S/C11H13N3/c12-11(8-14-7-6-13-9-14)10-4-2-1-3-5-10/h1-7,9,11H,8,12H2
InChIKeyNYQHWEIQMDYXSR-UHFFFAOYSA-N
XLogP1.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-imidazol-1-yl-1-phenylethanamine 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-(4-fluorophenyl)-2-imidazol-1-ylethanamine
CID 16787972
3-imidazol-1-yl-2-phenylpropan-1-amine
CID 64538242
2-imidazol-1-yl-1-(3-methoxyphenyl)ethanamine
CID 16641645
2-imidazol-1-yl-1-thiophen-3-ylethanamine
CID 130835014
2-imidazol-1-yl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 16786819
1-[2-(4-fluorophenyl)-2-phenylethyl]imidazole
CID 14211259
3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-3-phenylpropanamide
CID 119953299
3-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide;dihydrochloride
CID 119952744
4-amino-N-(2-imidazol-1-ylethyl)-4-phenylbutanamide
CID 63323955
1-(3,4-dimethoxyphenyl)-2-imidazol-1-ylethanamine
CID 16641649
1-imidazol-1-yl-N-(1-phenylethyl)propan-2-amine
CID 43749763
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-imidazol-1-ylethanamine
CID 16641652

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-phenylethanamine?
The IUPAC name of 2-imidazol-1-yl-1-phenylethanamine (CID 5195236) is 2-imidazol-1-yl-1-phenylethanamine.
What is the SMILES notation for 2-imidazol-1-yl-1-phenylethanamine?
The canonical SMILES for 2-imidazol-1-yl-1-phenylethanamine is NC(Cn1ccnc1)c1ccccc1.
What is the InChIKey of 2-imidazol-1-yl-1-phenylethanamine?
The InChIKey is NYQHWEIQMDYXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c12-11(8-14-7-6-13-9-14)10-4-2-1-3-5-10/h1-7,9,11H,8,12H2.
What are the key properties of 2-imidazol-1-yl-1-phenylethanamine?
2-imidazol-1-yl-1-phenylethanamine has a molecular weight of 187.25 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-phenylethanamine is sourced from PubChem (CID 5195236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).