1-(1,2-dimethylbenzimidazol-5-yl)sulfonyl-3,4-dihydro-2H-quinoline

C18H19N3O2S — CID 110760434

IUPAC1-(1,2-dimethylbenzimidazol-5-yl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCc1nc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2n1C
InChIInChI=1S/C18H19N3O2S/c1-13-19-16-12-15(9-10-18(16)20(13)2)24(22,23)21-11-5-7-14-6-3-4-8-17(14)21/h3-4,6,8-10,12H,5,7,11H2,1-2H3
InChIKeyYFVPMRVEJHBAAX-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.02
Rot. Bonds2

About 1-(1,2-dimethylbenzimidazol-5-yl)sulfonyl-3,4-dihydro-2H-quinoline

1-(1,2-dimethylbenzimidazol-5-yl)sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 110760434) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-(1,2-dimethylbenzimidazol-5-yl)sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(1,2-dimethylbenzimidazol-5-yl)sulfonyl-3,4-dihydro-2H-quinoline
PubChem CID110760434
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name1-(1,2-dimethylbenzimidazol-5-yl)sulfonyl-3,4-dihydro-2H-quinoline
SMILESCc1nc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2n1C
InChIInChI=1S/C18H19N3O2S/c1-13-19-16-12-15(9-10-18(16)20(13)2)24(22,23)21-11-5-7-14-6-3-4-8-17(14)21/h3-4,6,8-10,12H,5,7,11H2,1-2H3
InChIKeyYFVPMRVEJHBAAX-UHFFFAOYSA-N
XLogP3.02
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-1,3-benzoxazole
CID 110760559
1,2-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzimidazole
CID 110760387
1-[(6-methoxy-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline
CID 99803410
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide
CID 31064364
1,2-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazole
CID 110760379
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoroaniline
CID 82845024
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 17264573
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2342108
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
ethyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 7938499

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylbenzimidazol-5-yl)sulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(1,2-dimethylbenzimidazol-5-yl)sulfonyl-3,4-dihydro-2H-quinoline (CID 110760434) is 1-(1,2-dimethylbenzimidazol-5-yl)sulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(1,2-dimethylbenzimidazol-5-yl)sulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(1,2-dimethylbenzimidazol-5-yl)sulfonyl-3,4-dihydro-2H-quinoline is Cc1nc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc2n1C.
What is the InChIKey of 1-(1,2-dimethylbenzimidazol-5-yl)sulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is YFVPMRVEJHBAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-13-19-16-12-15(9-10-18(16)20(13)2)24(22,23)21-11-5-7-14-6-3-4-8-17(14)21/h3-4,6,8-10,12H,5,7,11H2,1-2H3.
What are the key properties of 1-(1,2-dimethylbenzimidazol-5-yl)sulfonyl-3,4-dihydro-2H-quinoline?
1-(1,2-dimethylbenzimidazol-5-yl)sulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 341.44 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylbenzimidazol-5-yl)sulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 110760434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).