1-methylthiochromeno[3,4-d]imidazol-4-one

C11H8N2OS — CID 1240549

IUPAC1-methylthiochromeno[3,4-d]imidazol-4-one
SMILESCn1cnc2c(=O)sc3ccccc3c21
InChIInChI=1S/C11H8N2OS/c1-13-6-12-9-10(13)7-4-2-3-5-8(7)15-11(9)14/h2-6H,1H3
InChIKeyBULGGWHIONMKNU-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.15
Rot. Bonds

About 1-methylthiochromeno[3,4-d]imidazol-4-one

1-methylthiochromeno[3,4-d]imidazol-4-one (PubChem CID 1240549) has the molecular formula C11H8N2OS and a molecular weight of 216.27 g/mol. Its IUPAC name is 1-methylthiochromeno[3,4-d]imidazol-4-one.

Molecular Properties

Compound Name1-methylthiochromeno[3,4-d]imidazol-4-one
PubChem CID1240549
Molecular FormulaC11H8N2OS
Molecular Weight216.27 g/mol
Exact Mass216.04
IUPAC Name1-methylthiochromeno[3,4-d]imidazol-4-one
SMILESCn1cnc2c(=O)sc3ccccc3c21
InChIInChI=1S/C11H8N2OS/c1-13-6-12-9-10(13)7-4-2-3-5-8(7)15-11(9)14/h2-6H,1H3
InChIKeyBULGGWHIONMKNU-UHFFFAOYSA-N
XLogP2.15
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methylthiochromeno[3,4-d]imidazol-4-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-methylthiochromeno[3,4-d]imidazol-4-one?
The IUPAC name of 1-methylthiochromeno[3,4-d]imidazol-4-one (CID 1240549) is 1-methylthiochromeno[3,4-d]imidazol-4-one.
What is the SMILES notation for 1-methylthiochromeno[3,4-d]imidazol-4-one?
The canonical SMILES for 1-methylthiochromeno[3,4-d]imidazol-4-one is Cn1cnc2c(=O)sc3ccccc3c21.
What is the InChIKey of 1-methylthiochromeno[3,4-d]imidazol-4-one?
The InChIKey is BULGGWHIONMKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS/c1-13-6-12-9-10(13)7-4-2-3-5-8(7)15-11(9)14/h2-6H,1H3.
What are the key properties of 1-methylthiochromeno[3,4-d]imidazol-4-one?
1-methylthiochromeno[3,4-d]imidazol-4-one has a molecular weight of 216.27 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylthiochromeno[3,4-d]imidazol-4-one is sourced from PubChem (CID 1240549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).