1-[(5-chlorothiophen-3-yl)methyl]-3-methylimidazol-2-one

C9H9ClN2OS — CID 131071044

IUPAC1-[(5-chlorothiophen-3-yl)methyl]-3-methylimidazol-2-one
SMILESCn1ccn(Cc2csc(Cl)c2)c1=O
InChIInChI=1S/C9H9ClN2OS/c1-11-2-3-12(9(11)13)5-7-4-8(10)14-6-7/h2-4,6H,5H2,1H3
InChIKeyOZNXENBYHCCXFS-UHFFFAOYSA-N
MW228.70 g/mol
LogP1.95
Rot. Bonds2

About 1-[(5-chlorothiophen-3-yl)methyl]-3-methylimidazol-2-one

1-[(5-chlorothiophen-3-yl)methyl]-3-methylimidazol-2-one (PubChem CID 131071044) has the molecular formula C9H9ClN2OS and a molecular weight of 228.70 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-3-yl)methyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[(5-chlorothiophen-3-yl)methyl]-3-methylimidazol-2-one
PubChem CID131071044
Molecular FormulaC9H9ClN2OS
Molecular Weight228.70 g/mol
Exact Mass228.01
IUPAC Name1-[(5-chlorothiophen-3-yl)methyl]-3-methylimidazol-2-one
SMILESCn1ccn(Cc2csc(Cl)c2)c1=O
InChIInChI=1S/C9H9ClN2OS/c1-11-2-3-12(9(11)13)5-7-4-8(10)14-6-7/h2-4,6H,5H2,1H3
InChIKeyOZNXENBYHCCXFS-UHFFFAOYSA-N
XLogP1.95
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(5-chlorothiophen-3-yl)methyl]-3-methylimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-3-yl)methyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[(5-chlorothiophen-3-yl)methyl]-3-methylimidazol-2-one (CID 131071044) is 1-[(5-chlorothiophen-3-yl)methyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[(5-chlorothiophen-3-yl)methyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[(5-chlorothiophen-3-yl)methyl]-3-methylimidazol-2-one is Cn1ccn(Cc2csc(Cl)c2)c1=O.
What is the InChIKey of 1-[(5-chlorothiophen-3-yl)methyl]-3-methylimidazol-2-one?
The InChIKey is OZNXENBYHCCXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2OS/c1-11-2-3-12(9(11)13)5-7-4-8(10)14-6-7/h2-4,6H,5H2,1H3.
What are the key properties of 1-[(5-chlorothiophen-3-yl)methyl]-3-methylimidazol-2-one?
1-[(5-chlorothiophen-3-yl)methyl]-3-methylimidazol-2-one has a molecular weight of 228.70 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-3-yl)methyl]-3-methylimidazol-2-one is sourced from PubChem (CID 131071044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).