4-[1-(5-phenylimidazol-1-yl)ethyl]aniline

C17H17N3 — CID 116650734

IUPAC4-[1-(5-phenylimidazol-1-yl)ethyl]aniline
SMILESCC(c1ccc(N)cc1)n1cncc1-c1ccccc1
InChIInChI=1S/C17H17N3/c1-13(14-7-9-16(18)10-8-14)20-12-19-11-17(20)15-5-3-2-4-6-15/h2-13H,18H2,1H3
InChIKeyFNOLITGGTRSZMX-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.74
Rot. Bonds3

About 4-[1-(5-phenylimidazol-1-yl)ethyl]aniline

4-[1-(5-phenylimidazol-1-yl)ethyl]aniline (PubChem CID 116650734) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[1-(5-phenylimidazol-1-yl)ethyl]aniline.

Molecular Properties

Compound Name4-[1-(5-phenylimidazol-1-yl)ethyl]aniline
PubChem CID116650734
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name4-[1-(5-phenylimidazol-1-yl)ethyl]aniline
SMILESCC(c1ccc(N)cc1)n1cncc1-c1ccccc1
InChIInChI=1S/C17H17N3/c1-13(14-7-9-16(18)10-8-14)20-12-19-11-17(20)15-5-3-2-4-6-15/h2-13H,18H2,1H3
InChIKeyFNOLITGGTRSZMX-UHFFFAOYSA-N
XLogP3.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[1-(5-thiophen-2-ylimidazol-1-yl)ethyl]aniline
CID 116650722
4-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]pyridin-2-amine
CID 114717900
3-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]pyridin-2-amine
CID 114717857
3-phenyl-4-(1-phenylethyl)-1,2,4-triazole
CID 141287067
1-(2-methylpropyl)-5-phenylimidazole
CID 58719875
N-methyl-1-[3-(1-phenylethyl)imidazol-4-yl]methanamine
CID 19841742
1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]-2-methylpropan-1-amine
CID 102969585
2-[3-(3-propan-2-ylimidazol-4-yl)phenyl]propanoic acid
CID 115054902
2,2-dimethoxy-1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone
CID 167321198
1-[(1S)-1-phenylethyl]benzimidazol-5-amine
CID 687989
4-[(1R)-1-(4-phenyl-5-pyridin-3-ylimidazol-1-yl)ethyl]phenol
CID 95120357
(1R)-1-[3-[1-(4-fluorophenyl)ethyl]imidazol-4-yl]propan-1-amine
CID 104942473

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-phenylimidazol-1-yl)ethyl]aniline?
The IUPAC name of 4-[1-(5-phenylimidazol-1-yl)ethyl]aniline (CID 116650734) is 4-[1-(5-phenylimidazol-1-yl)ethyl]aniline.
What is the SMILES notation for 4-[1-(5-phenylimidazol-1-yl)ethyl]aniline?
The canonical SMILES for 4-[1-(5-phenylimidazol-1-yl)ethyl]aniline is CC(c1ccc(N)cc1)n1cncc1-c1ccccc1.
What is the InChIKey of 4-[1-(5-phenylimidazol-1-yl)ethyl]aniline?
The InChIKey is FNOLITGGTRSZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-13(14-7-9-16(18)10-8-14)20-12-19-11-17(20)15-5-3-2-4-6-15/h2-13H,18H2,1H3.
What are the key properties of 4-[1-(5-phenylimidazol-1-yl)ethyl]aniline?
4-[1-(5-phenylimidazol-1-yl)ethyl]aniline has a molecular weight of 263.34 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-phenylimidazol-1-yl)ethyl]aniline is sourced from PubChem (CID 116650734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).