1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one

C16H23N3O2 — CID 80579653

IUPAC1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one
SMILESCCCNC(Cn1ccn(C)c1=O)c1ccc(OC)cc1
InChIInChI=1S/C16H23N3O2/c1-4-9-17-15(12-19-11-10-18(2)16(19)20)13-5-7-14(21-3)8-6-13/h5-8,10-11,15,17H,4,9,12H2,1-3H3
InChIKeyGAQSXFUKFRYQRW-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.94
Rot. Bonds7

About 1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one

1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one (PubChem CID 80579653) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one
PubChem CID80579653
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one
SMILESCCCNC(Cn1ccn(C)c1=O)c1ccc(OC)cc1
InChIInChI=1S/C16H23N3O2/c1-4-9-17-15(12-19-11-10-18(2)16(19)20)13-5-7-14(21-3)8-6-13/h5-8,10-11,15,17H,4,9,12H2,1-3H3
InChIKeyGAQSXFUKFRYQRW-UHFFFAOYSA-N
XLogP1.94
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one
CID 80579539
1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]pyridin-4-one
CID 62879646
1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylimidazol-2-one
CID 80581913
1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazolidin-2-one
CID 62491666
N-[1-(4-methoxyphenyl)-2-propylsulfinylethyl]propan-1-amine
CID 64652367
1-(4-methoxyphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161012
N-[1-(4-methoxyphenyl)-2-phenylethyl]propan-1-amine
CID 43495037
1-(4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63414142
N-[1-(4-methoxyphenyl)-2-(2-methylpropylsulfinyl)ethyl]propan-1-amine
CID 64651022
N-(2-methoxyethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43177275
1-[2-amino-2-(3-methoxyphenyl)ethyl]-3-methylimidazol-2-one
CID 80580468
N-[2-(cyclopentylmethoxy)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 66324313

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one (CID 80579653) is 1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one is CCCNC(Cn1ccn(C)c1=O)c1ccc(OC)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one?
The InChIKey is GAQSXFUKFRYQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-9-17-15(12-19-11-10-18(2)16(19)20)13-5-7-14(21-3)8-6-13/h5-8,10-11,15,17H,4,9,12H2,1-3H3.
What are the key properties of 1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one?
1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one has a molecular weight of 289.38 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one is sourced from PubChem (CID 80579653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).