8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-methyl-2,3-dihydroquinolin-4-one

C18H17N3O2S — CID 15053271

IUPAC8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-methyl-2,3-dihydroquinolin-4-one
SMILESCN1CCC(=O)c2cccc(CS(=O)c3nc4ccccc4[nH]3)c21
InChIInChI=1S/C18H17N3O2S/c1-21-10-9-16(22)13-6-4-5-12(17(13)21)11-24(23)18-19-14-7-2-3-8-15(14)20-18/h2-8H,9-11H2,1H3,(H,19,20)
InChIKeyWOFYNMBFKVQTCQ-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.89
Rot. Bonds3

About 8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-methyl-2,3-dihydroquinolin-4-one

8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-methyl-2,3-dihydroquinolin-4-one (PubChem CID 15053271) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-methyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-methyl-2,3-dihydroquinolin-4-one
PubChem CID15053271
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-methyl-2,3-dihydroquinolin-4-one
SMILESCN1CCC(=O)c2cccc(CS(=O)c3nc4ccccc4[nH]3)c21
InChIInChI=1S/C18H17N3O2S/c1-21-10-9-16(22)13-6-4-5-12(17(13)21)11-24(23)18-19-14-7-2-3-8-15(14)20-18/h2-8H,9-11H2,1H3,(H,19,20)
InChIKeyWOFYNMBFKVQTCQ-UHFFFAOYSA-N
XLogP2.89
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(1H-benzimidazol-2-ylsulfinylmethyl)-1,4-dimethyl-3,4-dihydro-2H-quinoline
CID 15053227
8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-benzyl-3,4-dihydro-2H-quinoline
CID 15053225
2-[(4-methylfuran-3-yl)methylsulfinyl]-1H-benzimidazole
CID 67700268
8'-(1H-benzimidazol-2-ylsulfinylmethyl)-1'-ethylspiro[1,3-dioxolane-2,4'-2,3-dihydroquinoline]
CID 14685800
N-[8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-ethyl-3,4-dihydro-2H-quinolin-4-yl]-N-methylacetamide
CID 15053293
2-(1H-benzimidazol-2-ylsulfinylmethyl)-4,6-dimethylaniline
CID 14064700
2-(1,3-benzodioxol-5-ylmethylsulfinyl)-1H-benzimidazole;molecular hydrogen
CID 156880611
2-(1H-benzimidazol-2-ylsulfinylmethyl)-4-chloro-6-methylaniline
CID 14064701
2-[[8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-ethyl-3,4-dihydro-2H-quinolin-6-yl]-methylamino]ethanol
CID 139641288
8-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-1-prop-2-enyl-3,4-dihydro-2H-quinoline
CID 15053218
phenyl-[2-[(2-piperidin-1-ylphenyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanone
CID 54252505
2-[(5-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 70405457

Frequently Asked Questions

What is the IUPAC name of 8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-methyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-methyl-2,3-dihydroquinolin-4-one (CID 15053271) is 8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-methyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-methyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-methyl-2,3-dihydroquinolin-4-one is CN1CCC(=O)c2cccc(CS(=O)c3nc4ccccc4[nH]3)c21.
What is the InChIKey of 8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-methyl-2,3-dihydroquinolin-4-one?
The InChIKey is WOFYNMBFKVQTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-21-10-9-16(22)13-6-4-5-12(17(13)21)11-24(23)18-19-14-7-2-3-8-15(14)20-18/h2-8H,9-11H2,1H3,(H,19,20).
What are the key properties of 8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-methyl-2,3-dihydroquinolin-4-one?
8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-methyl-2,3-dihydroquinolin-4-one has a molecular weight of 339.42 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-methyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 15053271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).