2-methyl-3H-thiochromeno[3,4-d]imidazol-4-one

C11H8N2OS — CID 5196567

IUPAC2-methyl-3H-thiochromeno[3,4-d]imidazol-4-one
SMILESCc1nc2c([nH]1)c(=O)sc1ccccc12
InChIInChI=1S/C11H8N2OS/c1-6-12-9-7-4-2-3-5-8(7)15-11(14)10(9)13-6/h2-5H,1H3,(H,12,13)
InChIKeyFMURVONIQINTKQ-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.45
Rot. Bonds

About 2-methyl-3H-thiochromeno[3,4-d]imidazol-4-one

2-methyl-3H-thiochromeno[3,4-d]imidazol-4-one (PubChem CID 5196567) has the molecular formula C11H8N2OS and a molecular weight of 216.27 g/mol. Its IUPAC name is 2-methyl-3H-thiochromeno[3,4-d]imidazol-4-one.

Molecular Properties

Compound Name2-methyl-3H-thiochromeno[3,4-d]imidazol-4-one
PubChem CID5196567
Molecular FormulaC11H8N2OS
Molecular Weight216.27 g/mol
Exact Mass216.04
IUPAC Name2-methyl-3H-thiochromeno[3,4-d]imidazol-4-one
SMILESCc1nc2c([nH]1)c(=O)sc1ccccc12
InChIInChI=1S/C11H8N2OS/c1-6-12-9-7-4-2-3-5-8(7)15-11(14)10(9)13-6/h2-5H,1H3,(H,12,13)
InChIKeyFMURVONIQINTKQ-UHFFFAOYSA-N
XLogP2.45
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylthiochromeno[3,4-d]imidazol-4(1H)-one
CID 1240549
1-benzyl-2-methylthiochromeno[3,4-d]imidazol-4(1H)-one
CID 760926
2-phenyl-1,5,6,7-tetrahydro-4H-benzimidazol-4-one
CID 4064157
6-chloro-2-phenyl-5-phenylsulfanyl-1H-benzimidazole-4,7-dione
CID 44449807
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
1-benzylthiochromeno[3,4-d]imidazol-4(1H)-one
CID 768408
1-(2,4-Diphenyl-1H-imidazol-5-yl)ethanone
CID 85808729
4-(4-fluorophenyl)-2-methyl-1H-imidazole-5-carboxamide
CID 58752243

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3H-thiochromeno[3,4-d]imidazol-4-one?
The IUPAC name of 2-methyl-3H-thiochromeno[3,4-d]imidazol-4-one (CID 5196567) is 2-methyl-3H-thiochromeno[3,4-d]imidazol-4-one.
What is the SMILES notation for 2-methyl-3H-thiochromeno[3,4-d]imidazol-4-one?
The canonical SMILES for 2-methyl-3H-thiochromeno[3,4-d]imidazol-4-one is Cc1nc2c([nH]1)c(=O)sc1ccccc12.
What is the InChIKey of 2-methyl-3H-thiochromeno[3,4-d]imidazol-4-one?
The InChIKey is FMURVONIQINTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS/c1-6-12-9-7-4-2-3-5-8(7)15-11(14)10(9)13-6/h2-5H,1H3,(H,12,13).
What are the key properties of 2-methyl-3H-thiochromeno[3,4-d]imidazol-4-one?
2-methyl-3H-thiochromeno[3,4-d]imidazol-4-one has a molecular weight of 216.27 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3H-thiochromeno[3,4-d]imidazol-4-one is sourced from PubChem (CID 5196567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).