1-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]-3-methylimidazol-2-one

C16H23N3O2 — CID 80579494

IUPAC1-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]-3-methylimidazol-2-one
SMILESCCNC(C)c1ccc(OC)c(Cn2ccn(C)c2=O)c1
InChIInChI=1S/C16H23N3O2/c1-5-17-12(2)13-6-7-15(21-4)14(10-13)11-19-9-8-18(3)16(19)20/h6-10,12,17H,5,11H2,1-4H3
InChIKeyDOTMUHMLVPPTPQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.91
Rot. Bonds6

About 1-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]-3-methylimidazol-2-one

1-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]-3-methylimidazol-2-one (PubChem CID 80579494) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]-3-methylimidazol-2-one
PubChem CID80579494
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]-3-methylimidazol-2-one
SMILESCCNC(C)c1ccc(OC)c(Cn2ccn(C)c2=O)c1
InChIInChI=1S/C16H23N3O2/c1-5-17-12(2)13-6-7-15(21-4)14(10-13)11-19-9-8-18(3)16(19)20/h6-10,12,17H,5,11H2,1-4H3
InChIKeyDOTMUHMLVPPTPQ-UHFFFAOYSA-N
XLogP1.91
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]pyridazin-3-one
CID 62850668
1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-3-methylimidazol-2-one
CID 80583236
N-ethyl-1-[4-methoxy-3-(methylsulfonylmethyl)phenyl]ethanamine
CID 55112329
N-ethyl-1-[4-methoxy-3-(2-methylpropylsulfinylmethyl)phenyl]ethanamine
CID 64652652
1-[3-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenyl]-N-ethylethanamine
CID 81036797
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
N-ethyl-1-[4-methoxy-3-(2-methoxyethylsulfonylmethyl)phenyl]ethanamine
CID 64647101
N-ethyl-1-[4-methoxy-3-(3-methylbutylsulfanylmethyl)phenyl]ethanamine
CID 107764159
N-ethyl-1-[4-methoxy-3-(pentylsulfanylmethyl)phenyl]ethanamine
CID 107763041
N-ethyl-1-[3-methoxy-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 60882672
1-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-3-propylimidazol-2-one
CID 80581760
1-[(5-amino-2-methoxyphenyl)methyl]-3-propan-2-ylimidazol-2-one
CID 80579623

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]-3-methylimidazol-2-one (CID 80579494) is 1-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]-3-methylimidazol-2-one is CCNC(C)c1ccc(OC)c(Cn2ccn(C)c2=O)c1.
What is the InChIKey of 1-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]-3-methylimidazol-2-one?
The InChIKey is DOTMUHMLVPPTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-17-12(2)13-6-7-15(21-4)14(10-13)11-19-9-8-18(3)16(19)20/h6-10,12,17H,5,11H2,1-4H3.
What are the key properties of 1-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]-3-methylimidazol-2-one?
1-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]-3-methylimidazol-2-one has a molecular weight of 289.38 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[1-(ethylamino)ethyl]-2-methoxyphenyl]methyl]-3-methylimidazol-2-one is sourced from PubChem (CID 80579494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).