1-[3-(3-phenoxyphenyl)imidazol-4-yl]ethanamine

C17H17N3O — CID 114704938

IUPAC1-[3-(3-phenoxyphenyl)imidazol-4-yl]ethanamine
SMILESCC(N)c1cncn1-c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H17N3O/c1-13(18)17-11-19-12-20(17)14-6-5-9-16(10-14)21-15-7-3-2-4-8-15/h2-13H,18H2,1H3
InChIKeyKZVDLMVSKHGCOQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.68
Rot. Bonds4

About 1-[3-(3-phenoxyphenyl)imidazol-4-yl]ethanamine

1-[3-(3-phenoxyphenyl)imidazol-4-yl]ethanamine (PubChem CID 114704938) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[3-(3-phenoxyphenyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(3-phenoxyphenyl)imidazol-4-yl]ethanamine
PubChem CID114704938
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-[3-(3-phenoxyphenyl)imidazol-4-yl]ethanamine
SMILESCC(N)c1cncn1-c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H17N3O/c1-13(18)17-11-19-12-20(17)14-6-5-9-16(10-14)21-15-7-3-2-4-8-15/h2-13H,18H2,1H3
InChIKeyKZVDLMVSKHGCOQ-UHFFFAOYSA-N
XLogP3.68
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[3-(3-chlorophenyl)imidazol-4-yl]ethanamine
CID 104941553
1-[3-(4-methoxyphenyl)imidazol-4-yl]ethanamine
CID 114702632
1-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethanamine
CID 114703383
1-[3-(3,4-dimethoxyphenyl)imidazol-4-yl]ethanamine
CID 114702940
(1R)-1-[3-(6-bromonaphthalen-2-yl)imidazol-4-yl]ethanamine
CID 104943457
1-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]ethanamine
CID 114702831
1-[3-(4-bromophenyl)imidazol-4-yl]ethanamine
CID 114703750
1-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]ethanamine
CID 114706316
(1R)-1-[3-(3,4,5-trifluorophenyl)imidazol-4-yl]ethanamine
CID 104942944
(1R)-1-[3-(3,4,5-trimethoxyphenyl)imidazol-4-yl]ethanamine
CID 104941610
1-(3-naphthalen-1-ylimidazol-4-yl)ethanamine
CID 114702749
(1S)-1-[3-(4-methylsulfanylphenyl)imidazol-4-yl]ethanamine
CID 104941738

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-phenoxyphenyl)imidazol-4-yl]ethanamine?
The IUPAC name of 1-[3-(3-phenoxyphenyl)imidazol-4-yl]ethanamine (CID 114704938) is 1-[3-(3-phenoxyphenyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 1-[3-(3-phenoxyphenyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 1-[3-(3-phenoxyphenyl)imidazol-4-yl]ethanamine is CC(N)c1cncn1-c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-[3-(3-phenoxyphenyl)imidazol-4-yl]ethanamine?
The InChIKey is KZVDLMVSKHGCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13(18)17-11-19-12-20(17)14-6-5-9-16(10-14)21-15-7-3-2-4-8-15/h2-13H,18H2,1H3.
What are the key properties of 1-[3-(3-phenoxyphenyl)imidazol-4-yl]ethanamine?
1-[3-(3-phenoxyphenyl)imidazol-4-yl]ethanamine has a molecular weight of 279.34 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-phenoxyphenyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 114704938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).