4-(3-chloro-4-ethoxyphenyl)-1,3-dihydroimidazol-2-one

C11H11ClN2O2 — CID 116879693

IUPAC4-(3-chloro-4-ethoxyphenyl)-1,3-dihydroimidazol-2-one
SMILESCCOc1ccc(-c2c[nH]c(=O)[nH]2)cc1Cl
InChIInChI=1S/C11H11ClN2O2/c1-2-16-10-4-3-7(5-8(10)12)9-6-13-11(15)14-9/h3-6H,2H2,1H3,(H2,13,14,15)
InChIKeyJMKCIWKXJSRCLG-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.42
Rot. Bonds3

About 4-(3-chloro-4-ethoxyphenyl)-1,3-dihydroimidazol-2-one

4-(3-chloro-4-ethoxyphenyl)-1,3-dihydroimidazol-2-one (PubChem CID 116879693) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 4-(3-chloro-4-ethoxyphenyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(3-chloro-4-ethoxyphenyl)-1,3-dihydroimidazol-2-one
PubChem CID116879693
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name4-(3-chloro-4-ethoxyphenyl)-1,3-dihydroimidazol-2-one
SMILESCCOc1ccc(-c2c[nH]c(=O)[nH]2)cc1Cl
InChIInChI=1S/C11H11ClN2O2/c1-2-16-10-4-3-7(5-8(10)12)9-6-13-11(15)14-9/h3-6H,2H2,1H3,(H2,13,14,15)
InChIKeyJMKCIWKXJSRCLG-UHFFFAOYSA-N
XLogP2.42
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-chloro-4-ethoxyphenyl)-2-methoxy-1H-imidazole
CID 116883702
5-(3-chloro-4-ethoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 116827239
4-chloro-6-(3-chloro-4-ethoxyphenyl)pyrimidine
CID 24902174
6-(3-chloro-4-ethoxyphenyl)pyrimidine-4-carboxylic acid
CID 95482943
6-(4-ethoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione
CID 82295142
3-chloro-5-(3-chloro-4-ethoxyphenyl)-1,2,4-triazine
CID 96667491
2-chloro-4-(3-chloro-4-ethoxyphenyl)pyridine
CID 164891716
2,4-dichloro-1-ethoxybenzene;formic acid
CID 145046183
2-(bromomethyl)-4-(3-chloro-4-ethoxyphenyl)-1,3-thiazole
CID 116970308
4-(4-fluoro-3-methylphenyl)-1,3-dihydroimidazol-2-one
CID 116879646
4-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-dihydroimidazol-2-one
CID 54226291
5-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 976021

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-ethoxyphenyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(3-chloro-4-ethoxyphenyl)-1,3-dihydroimidazol-2-one (CID 116879693) is 4-(3-chloro-4-ethoxyphenyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(3-chloro-4-ethoxyphenyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(3-chloro-4-ethoxyphenyl)-1,3-dihydroimidazol-2-one is CCOc1ccc(-c2c[nH]c(=O)[nH]2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-ethoxyphenyl)-1,3-dihydroimidazol-2-one?
The InChIKey is JMKCIWKXJSRCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-2-16-10-4-3-7(5-8(10)12)9-6-13-11(15)14-9/h3-6H,2H2,1H3,(H2,13,14,15).
What are the key properties of 4-(3-chloro-4-ethoxyphenyl)-1,3-dihydroimidazol-2-one?
4-(3-chloro-4-ethoxyphenyl)-1,3-dihydroimidazol-2-one has a molecular weight of 238.67 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-ethoxyphenyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 116879693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).