1-benzyl-2-methylthiochromeno[3,4-d]imidazol-4-one

C18H14N2OS — CID 760926

IUPAC1-benzyl-2-methylthiochromeno[3,4-d]imidazol-4-one
SMILESCc1nc2c(=O)sc3ccccc3c2n1Cc1ccccc1
InChIInChI=1S/C18H14N2OS/c1-12-19-16-17(20(12)11-13-7-3-2-4-8-13)14-9-5-6-10-15(14)22-18(16)21/h2-10H,11H2,1H3
InChIKeyIZORCTFEVCQGPK-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.97
Rot. Bonds2

About 1-benzyl-2-methylthiochromeno[3,4-d]imidazol-4-one

1-benzyl-2-methylthiochromeno[3,4-d]imidazol-4-one (PubChem CID 760926) has the molecular formula C18H14N2OS and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-benzyl-2-methylthiochromeno[3,4-d]imidazol-4-one.

Molecular Properties

Compound Name1-benzyl-2-methylthiochromeno[3,4-d]imidazol-4-one
PubChem CID760926
Molecular FormulaC18H14N2OS
Molecular Weight306.39 g/mol
Exact Mass306.08
IUPAC Name1-benzyl-2-methylthiochromeno[3,4-d]imidazol-4-one
SMILESCc1nc2c(=O)sc3ccccc3c2n1Cc1ccccc1
InChIInChI=1S/C18H14N2OS/c1-12-19-16-17(20(12)11-13-7-3-2-4-8-13)14-9-5-6-10-15(14)22-18(16)21/h2-10H,11H2,1H3
InChIKeyIZORCTFEVCQGPK-UHFFFAOYSA-N
XLogP3.97
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-2-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

Related Compounds

1-methylthiochromeno[3,4-d]imidazol-4(1H)-one
CID 1240549
2-Methyl-1-phenylthiochromeno[3,4-d]imidazol-4-one
CID 5038582
thiochromeno[3,4-d]imidazol-4(1H)-one
CID 763247
(1)Benzothiopyrano(3,4-d)imidazol-4(1H)-one, 2-(1-piperidinylmethyl)-
CID 58149
(1)Benzothiopyrano(3,4-d)imidazol-4(1H)-one, 1-methyl-2-(1-piperidinylmethyl)-
CID 58150
(1)Benzothiopyrano(3,4-d)imidazol-4(1H)-one, 1-butyl-2-(1-piperidinylmethyl)-
CID 58151
2-methylthiochromeno[3,4-d]imidazol-4(1H)-one
CID 5196567
1-benzylthiochromeno[3,4-d]imidazol-4(1H)-one
CID 768408
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-ethyl-5-(2-fluoro-4-methylphenyl)-2-phenylimidazole-4-carboxamide
CID 60019199
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-ethyl-5-(4-fluoro-3-methylphenyl)-2-phenylimidazole-4-carboxamide
CID 60019332
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-ethyl-5-(2-fluorophenyl)-2-phenylimidazole-4-carboxamide
CID 60019357
1,2-Dimethylthiochromeno[3,4-d]imidazol-4-one
CID 3900762

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methylthiochromeno[3,4-d]imidazol-4-one?
The IUPAC name of 1-benzyl-2-methylthiochromeno[3,4-d]imidazol-4-one (CID 760926) is 1-benzyl-2-methylthiochromeno[3,4-d]imidazol-4-one.
What is the SMILES notation for 1-benzyl-2-methylthiochromeno[3,4-d]imidazol-4-one?
The canonical SMILES for 1-benzyl-2-methylthiochromeno[3,4-d]imidazol-4-one is Cc1nc2c(=O)sc3ccccc3c2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-methylthiochromeno[3,4-d]imidazol-4-one?
The InChIKey is IZORCTFEVCQGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2OS/c1-12-19-16-17(20(12)11-13-7-3-2-4-8-13)14-9-5-6-10-15(14)22-18(16)21/h2-10H,11H2,1H3.
What are the key properties of 1-benzyl-2-methylthiochromeno[3,4-d]imidazol-4-one?
1-benzyl-2-methylthiochromeno[3,4-d]imidazol-4-one has a molecular weight of 306.39 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methylthiochromeno[3,4-d]imidazol-4-one is sourced from PubChem (CID 760926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).