1-naphthalen-2-ylsulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazol-2-one

C22H19N3O3S — CID 11350253

IUPAC1-naphthalen-2-ylsulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazol-2-one
SMILESO=c1n(C2=CCNCC2)c2ccccc2n1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H19N3O3S/c26-22-24(18-11-13-23-14-12-18)20-7-3-4-8-21(20)25(22)29(27,28)19-10-9-16-5-1-2-6-17(16)15-19/h1-11,15,23H,12-14H2
InChIKeyXDYOZVSNQXEXPC-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.03
Rot. Bonds3

About 1-naphthalen-2-ylsulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazol-2-one

1-naphthalen-2-ylsulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazol-2-one (PubChem CID 11350253) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 1-naphthalen-2-ylsulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazol-2-one.

Molecular Properties

Compound Name1-naphthalen-2-ylsulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazol-2-one
PubChem CID11350253
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name1-naphthalen-2-ylsulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazol-2-one
SMILESO=c1n(C2=CCNCC2)c2ccccc2n1S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C22H19N3O3S/c26-22-24(18-11-13-23-14-12-18)20-7-3-4-8-21(20)25(22)29(27,28)19-10-9-16-5-1-2-6-17(16)15-19/h1-11,15,23H,12-14H2
InChIKeyXDYOZVSNQXEXPC-UHFFFAOYSA-N
XLogP3.03
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-naphthalen-2-ylsulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylsulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazol-2-one?
The IUPAC name of 1-naphthalen-2-ylsulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazol-2-one (CID 11350253) is 1-naphthalen-2-ylsulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazol-2-one.
What is the SMILES notation for 1-naphthalen-2-ylsulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazol-2-one?
The canonical SMILES for 1-naphthalen-2-ylsulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazol-2-one is O=c1n(C2=CCNCC2)c2ccccc2n1S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-ylsulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazol-2-one?
The InChIKey is XDYOZVSNQXEXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c26-22-24(18-11-13-23-14-12-18)20-7-3-4-8-21(20)25(22)29(27,28)19-10-9-16-5-1-2-6-17(16)15-19/h1-11,15,23H,12-14H2.
What are the key properties of 1-naphthalen-2-ylsulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazol-2-one?
1-naphthalen-2-ylsulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazol-2-one has a molecular weight of 405.48 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylsulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazol-2-one is sourced from PubChem (CID 11350253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).