5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-dimethylbenzimidazol-2-one

C18H19N3O3S — CID 1247966

IUPAC5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc21
InChIInChI=1S/C18H19N3O3S/c1-19-16-10-9-14(12-17(16)20(2)18(19)22)25(23,24)21-11-5-7-13-6-3-4-8-15(13)21/h3-4,6,8-10,12H,5,7,11H2,1-2H3
InChIKeyFYIFZTBLJMZNKK-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.02
Rot. Bonds2

About 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-dimethylbenzimidazol-2-one

5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-dimethylbenzimidazol-2-one (PubChem CID 1247966) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-dimethylbenzimidazol-2-one
PubChem CID1247966
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc21
InChIInChI=1S/C18H19N3O3S/c1-19-16-10-9-14(12-17(16)20(2)18(19)22)25(23,24)21-11-5-7-13-6-3-4-8-15(13)21/h3-4,6,8-10,12H,5,7,11H2,1-2H3
InChIKeyFYIFZTBLJMZNKK-UHFFFAOYSA-N
XLogP2.02
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-dimethylbenzimidazol-2-one (CID 1247966) is 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc21.
What is the InChIKey of 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-dimethylbenzimidazol-2-one?
The InChIKey is FYIFZTBLJMZNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-19-16-10-9-14(12-17(16)20(2)18(19)22)25(23,24)21-11-5-7-13-6-3-4-8-15(13)21/h3-4,6,8-10,12H,5,7,11H2,1-2H3.
What are the key properties of 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-dimethylbenzimidazol-2-one?
5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-dimethylbenzimidazol-2-one has a molecular weight of 357.44 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 1247966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).