1,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazol-2-one

C15H21N3O3S — CID 2218808

IUPAC1,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazol-2-one
SMILESCC1CCN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC1
InChIInChI=1S/C15H21N3O3S/c1-11-6-8-18(9-7-11)22(20,21)12-4-5-13-14(10-12)17(3)15(19)16(13)2/h4-5,10-11H,6-9H2,1-3H3
InChIKeyVPKJNJOFYWGKOL-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.30
Rot. Bonds2

About 1,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazol-2-one

1,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazol-2-one (PubChem CID 2218808) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 1,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazol-2-one
PubChem CID2218808
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name1,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazol-2-one
SMILESCC1CCN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC1
InChIInChI=1S/C15H21N3O3S/c1-11-6-8-18(9-7-11)22(20,21)12-4-5-13-14(10-12)17(3)15(19)16(13)2/h4-5,10-11H,6-9H2,1-3H3
InChIKeyVPKJNJOFYWGKOL-UHFFFAOYSA-N
XLogP1.30
TPSA64.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,1,3,6-tetramethyl-2-oxo-N-phenyl-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 5300967
2,3-Dihydro-2-oxo-1-propyl-1H-benzimidazole-5-sulfonamide
CID 28819101
1,3-dimethyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 974153
5-(3,4-dihydro-1(2H)-quinolinylsulfonyl)-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one
CID 1247966
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 39886452
1,3-Dimethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-one
CID 751863
N-benzyl-N,1,3-trimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 701131
1,3-dimethyl-5-(4-morpholinylsulfonyl)-1,3-dihydro-2H-benzimidazol-2-one
CID 751864
5-(2,3-Dihydroindol-1-ylsulfonyl)-1,3-diethyl-2-benzimidazolone
CID 1253526
1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonic acid
CID 2055845
N-(2-methoxyethyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazole-5-sulfonamide
CID 3158005
N,N,1-triethyl-2-sulfanyl-1H-1,3-benzodiazole-5-sulfonamide
CID 3427299

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazol-2-one (CID 2218808) is 1,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazol-2-one is CC1CCN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CC1.
What is the InChIKey of 1,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazol-2-one?
The InChIKey is VPKJNJOFYWGKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-11-6-8-18(9-7-11)22(20,21)12-4-5-13-14(10-12)17(3)15(19)16(13)2/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazol-2-one?
1,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazol-2-one has a molecular weight of 323.42 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazol-2-one is sourced from PubChem (CID 2218808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).