1-methyl-3-[(5-methylthiophen-3-yl)methyl]imidazol-2-one

C10H12N2OS — CID 130558351

IUPAC1-methyl-3-[(5-methylthiophen-3-yl)methyl]imidazol-2-one
SMILESCc1cc(Cn2ccn(C)c2=O)cs1
InChIInChI=1S/C10H12N2OS/c1-8-5-9(7-14-8)6-12-4-3-11(2)10(12)13/h3-5,7H,6H2,1-2H3
InChIKeyGDMNPDCBWCCDPO-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.61
Rot. Bonds2

About 1-methyl-3-[(5-methylthiophen-3-yl)methyl]imidazol-2-one

1-methyl-3-[(5-methylthiophen-3-yl)methyl]imidazol-2-one (PubChem CID 130558351) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 1-methyl-3-[(5-methylthiophen-3-yl)methyl]imidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-[(5-methylthiophen-3-yl)methyl]imidazol-2-one
PubChem CID130558351
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name1-methyl-3-[(5-methylthiophen-3-yl)methyl]imidazol-2-one
SMILESCc1cc(Cn2ccn(C)c2=O)cs1
InChIInChI=1S/C10H12N2OS/c1-8-5-9(7-14-8)6-12-4-3-11(2)10(12)13/h3-5,7H,6H2,1-2H3
InChIKeyGDMNPDCBWCCDPO-UHFFFAOYSA-N
XLogP1.61
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(5-methylthiophen-3-yl)methyl]imidazol-2-one?
The IUPAC name of 1-methyl-3-[(5-methylthiophen-3-yl)methyl]imidazol-2-one (CID 130558351) is 1-methyl-3-[(5-methylthiophen-3-yl)methyl]imidazol-2-one.
What is the SMILES notation for 1-methyl-3-[(5-methylthiophen-3-yl)methyl]imidazol-2-one?
The canonical SMILES for 1-methyl-3-[(5-methylthiophen-3-yl)methyl]imidazol-2-one is Cc1cc(Cn2ccn(C)c2=O)cs1.
What is the InChIKey of 1-methyl-3-[(5-methylthiophen-3-yl)methyl]imidazol-2-one?
The InChIKey is GDMNPDCBWCCDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-8-5-9(7-14-8)6-12-4-3-11(2)10(12)13/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-methyl-3-[(5-methylthiophen-3-yl)methyl]imidazol-2-one?
1-methyl-3-[(5-methylthiophen-3-yl)methyl]imidazol-2-one has a molecular weight of 208.29 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(5-methylthiophen-3-yl)methyl]imidazol-2-one is sourced from PubChem (CID 130558351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).