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

C24H23N3OS — CID 15053225

IUPAC8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-benzyl-3,4-dihydro-2H-quinoline
SMILESO=S(Cc1cccc2c1N(Cc1ccccc1)CCC2)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H23N3OS/c28-29(24-25-21-13-4-5-14-22(21)26-24)17-20-11-6-10-19-12-7-15-27(23(19)20)16-18-8-2-1-3-9-18/h1-6,8-11,13-14H,7,12,15-17H2,(H,25,26)
InChIKeyHUUPUSKLONKZIU-UHFFFAOYSA-N
MW401.54 g/mol
LogP4.82
Rot. Bonds5

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

8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-benzyl-3,4-dihydro-2H-quinoline (PubChem CID 15053225) has the molecular formula C24H23N3OS and a molecular weight of 401.54 g/mol. Its IUPAC name is 8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-benzyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-benzyl-3,4-dihydro-2H-quinoline
PubChem CID15053225
Molecular FormulaC24H23N3OS
Molecular Weight401.54 g/mol
Exact Mass401.16
IUPAC Name8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-benzyl-3,4-dihydro-2H-quinoline
SMILESO=S(Cc1cccc2c1N(Cc1ccccc1)CCC2)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H23N3OS/c28-29(24-25-21-13-4-5-14-22(21)26-24)17-20-11-6-10-19-12-7-15-27(23(19)20)16-18-8-2-1-3-9-18/h1-6,8-11,13-14H,7,12,15-17H2,(H,25,26)
InChIKeyHUUPUSKLONKZIU-UHFFFAOYSA-N
XLogP4.82
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-1-prop-2-enyl-3,4-dihydro-2H-quinoline
CID 15053218
8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-methyl-2,3-dihydroquinolin-4-one
CID 15053271
2-[[8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-ethyl-3,4-dihydro-2H-quinolin-6-yl]-methylamino]ethanol
CID 139641288
8-(1H-benzimidazol-2-ylsulfinylmethyl)-1,4-dimethyl-3,4-dihydro-2H-quinoline
CID 15053227
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-[(4-methylfuran-3-yl)methylsulfinyl]-1H-benzimidazole
CID 67700268
1-(1-benzyl-2,3-dihydroindol-7-yl)propan-2-one
CID 115107224
2-(1,3-benzodioxol-5-ylmethylsulfinyl)-1H-benzimidazole;molecular hydrogen
CID 156880611
2-(1H-benzimidazol-2-ylsulfinylmethyl)-4-chloro-6-methylaniline
CID 14064701
phenyl-[2-[(2-piperidin-1-ylphenyl)methylsulfinyl]-3H-benzimidazol-5-yl]methanone
CID 54252505
2-(1H-benzimidazol-2-ylsulfinylmethyl)-4,6-dimethylaniline
CID 14064700

Frequently Asked Questions

What is the IUPAC name of 8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-benzyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-benzyl-3,4-dihydro-2H-quinoline (CID 15053225) is 8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-benzyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-benzyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-benzyl-3,4-dihydro-2H-quinoline is O=S(Cc1cccc2c1N(Cc1ccccc1)CCC2)c1nc2ccccc2[nH]1.
What is the InChIKey of 8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-benzyl-3,4-dihydro-2H-quinoline?
The InChIKey is HUUPUSKLONKZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3OS/c28-29(24-25-21-13-4-5-14-22(21)26-24)17-20-11-6-10-19-12-7-15-27(23(19)20)16-18-8-2-1-3-9-18/h1-6,8-11,13-14H,7,12,15-17H2,(H,25,26).
What are the key properties of 8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-benzyl-3,4-dihydro-2H-quinoline?
8-(1H-benzimidazol-2-ylsulfinylmethyl)-1-benzyl-3,4-dihydro-2H-quinoline has a molecular weight of 401.54 g/mol, XLogP of 4.82, 5 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-benzyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 15053225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).