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

C16H23N3O2 — CID 80579539

IUPAC1-[2-(2-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one
SMILESCCCNC(Cn1ccn(C)c1=O)c1ccccc1OC
InChIInChI=1S/C16H23N3O2/c1-4-9-17-14(12-19-11-10-18(2)16(19)20)13-7-5-6-8-15(13)21-3/h5-8,10-11,14,17H,4,9,12H2,1-3H3
InChIKeyJQCWWVVMPPYQPT-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.94
Rot. Bonds7

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

1-[2-(2-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one (PubChem CID 80579539) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one
PubChem CID80579539
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[2-(2-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one
SMILESCCCNC(Cn1ccn(C)c1=O)c1ccccc1OC
InChIInChI=1S/C16H23N3O2/c1-4-9-17-14(12-19-11-10-18(2)16(19)20)13-7-5-6-8-15(13)21-3/h5-8,10-11,14,17H,4,9,12H2,1-3H3
InChIKeyJQCWWVVMPPYQPT-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-(4-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one
CID 80579653
1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-3-propylimidazol-2-one
CID 80579661
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
1-[2-(2-methoxyphenyl)-2-(methylamino)ethyl]-4-methylpyrazine-2,3-dione
CID 62927691
N-[1-(2-methoxyphenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82877328
N-[2-(1-ethylimidazol-2-yl)-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 79751737
1-[2-(2,5-dimethylphenyl)-2-(ethylamino)ethyl]-3-methylimidazol-2-one
CID 80580469
1-(2-methoxyphenyl)-N-propylhex-4-yn-1-amine
CID 113455163
N-[2-cyclobutyloxy-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 55040870
N-[1-(2-methoxyphenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62551587
N-[1-(2-methoxyphenyl)-2-(3-methylbutan-2-ylsulfanyl)ethyl]propan-1-amine
CID 107763360
1-(2-methoxyphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114474078

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[2-(2-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one (CID 80579539) is 1-[2-(2-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[2-(2-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one is CCCNC(Cn1ccn(C)c1=O)c1ccccc1OC.
What is the InChIKey of 1-[2-(2-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one?
The InChIKey is JQCWWVVMPPYQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-9-17-14(12-19-11-10-18(2)16(19)20)13-7-5-6-8-15(13)21-3/h5-8,10-11,14,17H,4,9,12H2,1-3H3.
What are the key properties of 1-[2-(2-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one?
1-[2-(2-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-(2-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazol-2-one is sourced from PubChem (CID 80579539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).