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

C17H12N2OS — CID 768408

IUPAC1-benzylthiochromeno[3,4-d]imidazol-4-one
SMILESO=c1sc2ccccc2c2c1ncn2Cc1ccccc1
InChIInChI=1S/C17H12N2OS/c20-17-15-16(13-8-4-5-9-14(13)21-17)19(11-18-15)10-12-6-2-1-3-7-12/h1-9,11H,10H2
InChIKeyXDQRFXRIKSCFJC-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.66
Rot. Bonds2

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

1-benzylthiochromeno[3,4-d]imidazol-4-one (PubChem CID 768408) has the molecular formula C17H12N2OS and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-benzylthiochromeno[3,4-d]imidazol-4-one.

Molecular Properties

Compound Name1-benzylthiochromeno[3,4-d]imidazol-4-one
PubChem CID768408
Molecular FormulaC17H12N2OS
Molecular Weight292.36 g/mol
Exact Mass292.07
IUPAC Name1-benzylthiochromeno[3,4-d]imidazol-4-one
SMILESO=c1sc2ccccc2c2c1ncn2Cc1ccccc1
InChIInChI=1S/C17H12N2OS/c20-17-15-16(13-8-4-5-9-14(13)21-17)19(11-18-15)10-12-6-2-1-3-7-12/h1-9,11H,10H2
InChIKeyXDQRFXRIKSCFJC-UHFFFAOYSA-N
XLogP3.66
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzylthiochromeno[3,4-d]imidazol-4-one?
The IUPAC name of 1-benzylthiochromeno[3,4-d]imidazol-4-one (CID 768408) is 1-benzylthiochromeno[3,4-d]imidazol-4-one.
What is the SMILES notation for 1-benzylthiochromeno[3,4-d]imidazol-4-one?
The canonical SMILES for 1-benzylthiochromeno[3,4-d]imidazol-4-one is O=c1sc2ccccc2c2c1ncn2Cc1ccccc1.
What is the InChIKey of 1-benzylthiochromeno[3,4-d]imidazol-4-one?
The InChIKey is XDQRFXRIKSCFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OS/c20-17-15-16(13-8-4-5-9-14(13)21-17)19(11-18-15)10-12-6-2-1-3-7-12/h1-9,11H,10H2.
What are the key properties of 1-benzylthiochromeno[3,4-d]imidazol-4-one?
1-benzylthiochromeno[3,4-d]imidazol-4-one has a molecular weight of 292.36 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylthiochromeno[3,4-d]imidazol-4-one is sourced from PubChem (CID 768408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).