2-[(2-chlorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one

C11H11ClN2O — CID 106952168

IUPAC2-[(2-chlorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
SMILESCC1N=C(Cc2ccccc2Cl)NC1=O
InChIInChI=1S/C11H11ClN2O/c1-7-11(15)14-10(13-7)6-8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H,13,14,15)
InChIKeyBNBNHOCKYZZOCM-UHFFFAOYSA-N
MW222.68 g/mol
LogP1.80
Rot. Bonds2

About 2-[(2-chlorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one

2-[(2-chlorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one (PubChem CID 106952168) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
PubChem CID106952168
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name2-[(2-chlorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
SMILESCC1N=C(Cc2ccccc2Cl)NC1=O
InChIInChI=1S/C11H11ClN2O/c1-7-11(15)14-10(13-7)6-8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H,13,14,15)
InChIKeyBNBNHOCKYZZOCM-UHFFFAOYSA-N
XLogP1.80
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one (CID 106952168) is 2-[(2-chlorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one is CC1N=C(Cc2ccccc2Cl)NC1=O.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one?
The InChIKey is BNBNHOCKYZZOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-7-11(15)14-10(13-7)6-8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H,13,14,15).
What are the key properties of 2-[(2-chlorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one?
2-[(2-chlorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one has a molecular weight of 222.68 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).