2-methyl-1-phenylthiochromeno[3,4-d]imidazol-4-one

C17H12N2OS — CID 5038582

IUPAC2-methyl-1-phenylthiochromeno[3,4-d]imidazol-4-one
SMILESCc1nc2c(=O)sc3ccccc3c2n1-c1ccccc1
InChIInChI=1S/C17H12N2OS/c1-11-18-15-16(19(11)12-7-3-2-4-8-12)13-9-5-6-10-14(13)21-17(15)20/h2-10H,1H3
InChIKeyJQCQMTMJJOGGFD-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.91
Rot. Bonds1

About 2-methyl-1-phenylthiochromeno[3,4-d]imidazol-4-one

2-methyl-1-phenylthiochromeno[3,4-d]imidazol-4-one (PubChem CID 5038582) has the molecular formula C17H12N2OS and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-methyl-1-phenylthiochromeno[3,4-d]imidazol-4-one.

Molecular Properties

Compound Name2-methyl-1-phenylthiochromeno[3,4-d]imidazol-4-one
PubChem CID5038582
Molecular FormulaC17H12N2OS
Molecular Weight292.36 g/mol
Exact Mass292.07
IUPAC Name2-methyl-1-phenylthiochromeno[3,4-d]imidazol-4-one
SMILESCc1nc2c(=O)sc3ccccc3c2n1-c1ccccc1
InChIInChI=1S/C17H12N2OS/c1-11-18-15-16(19(11)12-7-3-2-4-8-12)13-9-5-6-10-14(13)21-17(15)20/h2-10H,1H3
InChIKeyJQCQMTMJJOGGFD-UHFFFAOYSA-N
XLogP3.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
(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-Methyl-3-phenylimidazo[1,5-a]quinoxalin-4(5h)-one
CID 11369390
1-benzylthiochromeno[3,4-d]imidazol-4(1H)-one
CID 768408
1-(5-Methylsulfanyl-2,3-diphenylimidazol-4-yl)ethanone
CID 13162435
5-butyl-2-(3-ethylsulfanylquinolin-2-yl)-3-methyl-6-(trifluoromethyl)-5H-benzimidazol-4-one
CID 137468444
1,2-Dimethylthiochromeno[3,4-d]imidazol-4-one
CID 3900762
1-Butylthiochromeno[3,4-d]imidazol-4-one
CID 5200578

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenylthiochromeno[3,4-d]imidazol-4-one?
The IUPAC name of 2-methyl-1-phenylthiochromeno[3,4-d]imidazol-4-one (CID 5038582) is 2-methyl-1-phenylthiochromeno[3,4-d]imidazol-4-one.
What is the SMILES notation for 2-methyl-1-phenylthiochromeno[3,4-d]imidazol-4-one?
The canonical SMILES for 2-methyl-1-phenylthiochromeno[3,4-d]imidazol-4-one is Cc1nc2c(=O)sc3ccccc3c2n1-c1ccccc1.
What is the InChIKey of 2-methyl-1-phenylthiochromeno[3,4-d]imidazol-4-one?
The InChIKey is JQCQMTMJJOGGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OS/c1-11-18-15-16(19(11)12-7-3-2-4-8-12)13-9-5-6-10-14(13)21-17(15)20/h2-10H,1H3.
What are the key properties of 2-methyl-1-phenylthiochromeno[3,4-d]imidazol-4-one?
2-methyl-1-phenylthiochromeno[3,4-d]imidazol-4-one has a molecular weight of 292.36 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenylthiochromeno[3,4-d]imidazol-4-one is sourced from PubChem (CID 5038582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).