3-[4-(1-phenylethylamino)phenyl]-1H-imidazol-2-one

C17H17N3O — CID 60934772

IUPAC3-[4-(1-phenylethylamino)phenyl]-1H-imidazol-2-one
SMILESCC(Nc1ccc(-n2cc[nH]c2=O)cc1)c1ccccc1
InChIInChI=1S/C17H17N3O/c1-13(14-5-3-2-4-6-14)19-15-7-9-16(10-8-15)20-12-11-18-17(20)21/h2-13,19H,1H3,(H,18,21)
InChIKeyUXTQYFMYUCMBAI-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.34
Rot. Bonds4

About 3-[4-(1-phenylethylamino)phenyl]-1H-imidazol-2-one

3-[4-(1-phenylethylamino)phenyl]-1H-imidazol-2-one (PubChem CID 60934772) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[4-(1-phenylethylamino)phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[4-(1-phenylethylamino)phenyl]-1H-imidazol-2-one
PubChem CID60934772
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-[4-(1-phenylethylamino)phenyl]-1H-imidazol-2-one
SMILESCC(Nc1ccc(-n2cc[nH]c2=O)cc1)c1ccccc1
InChIInChI=1S/C17H17N3O/c1-13(14-5-3-2-4-6-14)19-15-7-9-16(10-8-15)20-12-11-18-17(20)21/h2-13,19H,1H3,(H,18,21)
InChIKeyUXTQYFMYUCMBAI-UHFFFAOYSA-N
XLogP3.34
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(1-methoxypropan-2-ylamino)phenyl]-1H-imidazol-2-one
CID 62536822
2-(methylamino)-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]propanamide
CID 62637310
3-[3-[1-(ethylamino)ethyl]phenyl]-1H-imidazol-2-one
CID 103124633
3-[4-[2-(tert-butylamino)ethylamino]phenyl]-1H-imidazol-2-one
CID 107445375
4-N-[(1R)-1-phenylethyl]benzene-1,4-diamine
CID 28902579
(2S)-2-amino-3-methyl-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]pentanamide
CID 61174783
2-methoxy-N-[4-(2-oxo-1H-imidazol-3-yl)phenyl]acetamide
CID 47265723
6-methyl-4-oxo-N-[4-(1-phenylethylamino)phenyl]-1H-pyridine-3-carboxamide
CID 131962645
3-[4-[(5-ethylfuran-2-yl)methylamino]phenyl]-1H-imidazol-2-one
CID 62345288
3-[4-[(2-methyloxolan-3-yl)amino]phenyl]-1H-imidazol-2-one
CID 82726652
[4-(1-phenylethylamino)phenyl]methanol
CID 112706513
3-(2-phenylpropyl)-1H-imidazol-2-one
CID 103125958

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-phenylethylamino)phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-[4-(1-phenylethylamino)phenyl]-1H-imidazol-2-one (CID 60934772) is 3-[4-(1-phenylethylamino)phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[4-(1-phenylethylamino)phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[4-(1-phenylethylamino)phenyl]-1H-imidazol-2-one is CC(Nc1ccc(-n2cc[nH]c2=O)cc1)c1ccccc1.
What is the InChIKey of 3-[4-(1-phenylethylamino)phenyl]-1H-imidazol-2-one?
The InChIKey is UXTQYFMYUCMBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13(14-5-3-2-4-6-14)19-15-7-9-16(10-8-15)20-12-11-18-17(20)21/h2-13,19H,1H3,(H,18,21).
What are the key properties of 3-[4-(1-phenylethylamino)phenyl]-1H-imidazol-2-one?
3-[4-(1-phenylethylamino)phenyl]-1H-imidazol-2-one has a molecular weight of 279.34 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-phenylethylamino)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 60934772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).