4-(3-chloro-4-methoxyphenyl)-1-ethyl-3-methylimidazolidin-2-one

C13H17ClN2O2 — CID 116983020

IUPAC4-(3-chloro-4-methoxyphenyl)-1-ethyl-3-methylimidazolidin-2-one
SMILESCCN1CC(c2ccc(OC)c(Cl)c2)N(C)C1=O
InChIInChI=1S/C13H17ClN2O2/c1-4-16-8-11(15(2)13(16)17)9-5-6-12(18-3)10(14)7-9/h5-7,11H,4,8H2,1-3H3
InChIKeyHGHKMQVRBNVWBJ-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.78
Rot. Bonds3

About 4-(3-chloro-4-methoxyphenyl)-1-ethyl-3-methylimidazolidin-2-one

4-(3-chloro-4-methoxyphenyl)-1-ethyl-3-methylimidazolidin-2-one (PubChem CID 116983020) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-(3-chloro-4-methoxyphenyl)-1-ethyl-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name4-(3-chloro-4-methoxyphenyl)-1-ethyl-3-methylimidazolidin-2-one
PubChem CID116983020
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name4-(3-chloro-4-methoxyphenyl)-1-ethyl-3-methylimidazolidin-2-one
SMILESCCN1CC(c2ccc(OC)c(Cl)c2)N(C)C1=O
InChIInChI=1S/C13H17ClN2O2/c1-4-16-8-11(15(2)13(16)17)9-5-6-12(18-3)10(14)7-9/h5-7,11H,4,8H2,1-3H3
InChIKeyHGHKMQVRBNVWBJ-UHFFFAOYSA-N
XLogP2.78
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-methyl-4-naphthalen-2-ylimidazolidin-2-one
CID 116983099
4-(3-ethyl-4-methoxyphenyl)-1,3-dimethylimidazolidin-2-one
CID 116982907
1-ethyl-4-(4-methoxy-2,5-dimethylphenyl)-3-methylimidazolidin-2-one
CID 116983036
4-(3-chloro-4-methoxyphenyl)-1-methylpiperidine
CID 156561113
5-(3-chloro-4-methoxyphenyl)cyclohexane-1,3-dione
CID 81340530
7-(3-chloro-4-methoxyphenyl)-1-methyl-1,4-diazepane
CID 82623320
1-[2-(3-chloro-4-methoxyphenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine
CID 65021313
2-[3-methyl-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]acetonitrile
CID 116982438
1-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-4-methylpiperazine-2,3-dione
CID 62928596
1-(3-hydroxypropyl)-4-(2-methoxyphenyl)-3-methylimidazolidin-2-one
CID 116982000
2-[4-(4-fluoro-3-methylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid
CID 116982014
3-[3-methyl-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]propanenitrile
CID 116982515

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methoxyphenyl)-1-ethyl-3-methylimidazolidin-2-one?
The IUPAC name of 4-(3-chloro-4-methoxyphenyl)-1-ethyl-3-methylimidazolidin-2-one (CID 116983020) is 4-(3-chloro-4-methoxyphenyl)-1-ethyl-3-methylimidazolidin-2-one.
What is the SMILES notation for 4-(3-chloro-4-methoxyphenyl)-1-ethyl-3-methylimidazolidin-2-one?
The canonical SMILES for 4-(3-chloro-4-methoxyphenyl)-1-ethyl-3-methylimidazolidin-2-one is CCN1CC(c2ccc(OC)c(Cl)c2)N(C)C1=O.
What is the InChIKey of 4-(3-chloro-4-methoxyphenyl)-1-ethyl-3-methylimidazolidin-2-one?
The InChIKey is HGHKMQVRBNVWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-4-16-8-11(15(2)13(16)17)9-5-6-12(18-3)10(14)7-9/h5-7,11H,4,8H2,1-3H3.
What are the key properties of 4-(3-chloro-4-methoxyphenyl)-1-ethyl-3-methylimidazolidin-2-one?
4-(3-chloro-4-methoxyphenyl)-1-ethyl-3-methylimidazolidin-2-one has a molecular weight of 268.74 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methoxyphenyl)-1-ethyl-3-methylimidazolidin-2-one is sourced from PubChem (CID 116983020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).