8-(1H-benzimidazol-2-ylsulfinylmethyl)-1,4-dimethyl-3,4-dihydro-2H-quinoline

C19H21N3OS — CID 15053227

IUPAC8-(1H-benzimidazol-2-ylsulfinylmethyl)-1,4-dimethyl-3,4-dihydro-2H-quinoline
SMILESCC1CCN(C)c2c(CS(=O)c3nc4ccccc4[nH]3)cccc21
InChIInChI=1S/C19H21N3OS/c1-13-10-11-22(2)18-14(6-5-7-15(13)18)12-24(23)19-20-16-8-3-4-9-17(16)21-19/h3-9,13H,10-12H2,1-2H3,(H,20,21)
InChIKeyVKJKESAZNAVDET-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.81
Rot. Bonds3

About 8-(1H-benzimidazol-2-ylsulfinylmethyl)-1,4-dimethyl-3,4-dihydro-2H-quinoline

8-(1H-benzimidazol-2-ylsulfinylmethyl)-1,4-dimethyl-3,4-dihydro-2H-quinoline (PubChem CID 15053227) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 8-(1H-benzimidazol-2-ylsulfinylmethyl)-1,4-dimethyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name8-(1H-benzimidazol-2-ylsulfinylmethyl)-1,4-dimethyl-3,4-dihydro-2H-quinoline
PubChem CID15053227
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name8-(1H-benzimidazol-2-ylsulfinylmethyl)-1,4-dimethyl-3,4-dihydro-2H-quinoline
SMILESCC1CCN(C)c2c(CS(=O)c3nc4ccccc4[nH]3)cccc21
InChIInChI=1S/C19H21N3OS/c1-13-10-11-22(2)18-14(6-5-7-15(13)18)12-24(23)19-20-16-8-3-4-9-17(16)21-19/h3-9,13H,10-12H2,1-2H3,(H,20,21)
InChIKeyVKJKESAZNAVDET-UHFFFAOYSA-N
XLogP3.81
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(1H-benzimidazol-2-ylsulfinylmethyl)-1,4-dimethyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 8-(1H-benzimidazol-2-ylsulfinylmethyl)-1,4-dimethyl-3,4-dihydro-2H-quinoline (CID 15053227) is 8-(1H-benzimidazol-2-ylsulfinylmethyl)-1,4-dimethyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 8-(1H-benzimidazol-2-ylsulfinylmethyl)-1,4-dimethyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 8-(1H-benzimidazol-2-ylsulfinylmethyl)-1,4-dimethyl-3,4-dihydro-2H-quinoline is CC1CCN(C)c2c(CS(=O)c3nc4ccccc4[nH]3)cccc21.
What is the InChIKey of 8-(1H-benzimidazol-2-ylsulfinylmethyl)-1,4-dimethyl-3,4-dihydro-2H-quinoline?
The InChIKey is VKJKESAZNAVDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-13-10-11-22(2)18-14(6-5-7-15(13)18)12-24(23)19-20-16-8-3-4-9-17(16)21-19/h3-9,13H,10-12H2,1-2H3,(H,20,21).
What are the key properties of 8-(1H-benzimidazol-2-ylsulfinylmethyl)-1,4-dimethyl-3,4-dihydro-2H-quinoline?
8-(1H-benzimidazol-2-ylsulfinylmethyl)-1,4-dimethyl-3,4-dihydro-2H-quinoline has a molecular weight of 339.46 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-benzimidazol-2-ylsulfinylmethyl)-1,4-dimethyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 15053227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).