4-[2-(4-chlorophenyl)ethyl]-1,3-dihydroimidazol-2-one

C11H11ClN2O — CID 68839140

IUPAC4-[2-(4-chlorophenyl)ethyl]-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]cc(CCc2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C11H11ClN2O/c12-9-4-1-8(2-5-9)3-6-10-7-13-11(15)14-10/h1-2,4-5,7H,3,6H2,(H2,13,14,15)
InChIKeyRRRDGMKJISWKHX-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.14
Rot. Bonds3

About 4-[2-(4-chlorophenyl)ethyl]-1,3-dihydroimidazol-2-one

4-[2-(4-chlorophenyl)ethyl]-1,3-dihydroimidazol-2-one (PubChem CID 68839140) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)ethyl]-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)ethyl]-1,3-dihydroimidazol-2-one
PubChem CID68839140
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name4-[2-(4-chlorophenyl)ethyl]-1,3-dihydroimidazol-2-one
SMILESO=c1[nH]cc(CCc2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C11H11ClN2O/c12-9-4-1-8(2-5-9)3-6-10-7-13-11(15)14-10/h1-2,4-5,7H,3,6H2,(H2,13,14,15)
InChIKeyRRRDGMKJISWKHX-UHFFFAOYSA-N
XLogP2.14
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)ethyl]-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-[2-(4-chlorophenyl)ethyl]-1,3-dihydroimidazol-2-one (CID 68839140) is 4-[2-(4-chlorophenyl)ethyl]-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-[2-(4-chlorophenyl)ethyl]-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-[2-(4-chlorophenyl)ethyl]-1,3-dihydroimidazol-2-one is O=c1[nH]cc(CCc2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 4-[2-(4-chlorophenyl)ethyl]-1,3-dihydroimidazol-2-one?
The InChIKey is RRRDGMKJISWKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c12-9-4-1-8(2-5-9)3-6-10-7-13-11(15)14-10/h1-2,4-5,7H,3,6H2,(H2,13,14,15).
What are the key properties of 4-[2-(4-chlorophenyl)ethyl]-1,3-dihydroimidazol-2-one?
4-[2-(4-chlorophenyl)ethyl]-1,3-dihydroimidazol-2-one has a molecular weight of 222.68 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)ethyl]-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 68839140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).