1-[(3-chlorophenyl)methyl]-2-methylsulfanyl-4H-imidazol-5-one

C11H11ClN2OS — CID 2726685

IUPAC1-[(3-chlorophenyl)methyl]-2-methylsulfanyl-4H-imidazol-5-one
SMILESCSC1=NCC(=O)N1Cc1cccc(Cl)c1
InChIInChI=1S/C11H11ClN2OS/c1-16-11-13-6-10(15)14(11)7-8-3-2-4-9(12)5-8/h2-5H,6-7H2,1H3
InChIKeyLXNDRKVEPCRVNY-UHFFFAOYSA-N
MW254.74 g/mol
LogP2.40
Rot. Bonds2

About 1-[(3-chlorophenyl)methyl]-2-methylsulfanyl-4H-imidazol-5-one

1-[(3-chlorophenyl)methyl]-2-methylsulfanyl-4H-imidazol-5-one (PubChem CID 2726685) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-2-methylsulfanyl-4H-imidazol-5-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-2-methylsulfanyl-4H-imidazol-5-one
PubChem CID2726685
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name1-[(3-chlorophenyl)methyl]-2-methylsulfanyl-4H-imidazol-5-one
SMILESCSC1=NCC(=O)N1Cc1cccc(Cl)c1
InChIInChI=1S/C11H11ClN2OS/c1-16-11-13-6-10(15)14(11)7-8-3-2-4-9(12)5-8/h2-5H,6-7H2,1H3
InChIKeyLXNDRKVEPCRVNY-UHFFFAOYSA-N
XLogP2.40
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-2-methylsulfanyl-4H-imidazol-5-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-2-methylsulfanyl-4H-imidazol-5-one (CID 2726685) is 1-[(3-chlorophenyl)methyl]-2-methylsulfanyl-4H-imidazol-5-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-2-methylsulfanyl-4H-imidazol-5-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-2-methylsulfanyl-4H-imidazol-5-one is CSC1=NCC(=O)N1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-2-methylsulfanyl-4H-imidazol-5-one?
The InChIKey is LXNDRKVEPCRVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-16-11-13-6-10(15)14(11)7-8-3-2-4-9(12)5-8/h2-5H,6-7H2,1H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-2-methylsulfanyl-4H-imidazol-5-one?
1-[(3-chlorophenyl)methyl]-2-methylsulfanyl-4H-imidazol-5-one has a molecular weight of 254.74 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-2-methylsulfanyl-4H-imidazol-5-one is sourced from PubChem (CID 2726685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).