3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one

C17H21N5O3S — CID 47092482

IUPAC3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1nc(S(=O)(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cn1C
InChIInChI=1S/C17H21N5O3S/c1-12-18-16(11-20(12)2)26(24,25)21-9-7-13(8-10-21)22-15-6-4-3-5-14(15)19-17(22)23/h3-6,11,13H,7-10H2,1-2H3,(H,19,23)
InChIKeyURYPSPZNNWVXHE-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.40
Rot. Bonds3

About 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one

3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 47092482) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID47092482
Molecular FormulaC17H21N5O3S
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC Name3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
SMILESCc1nc(S(=O)(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cn1C
InChIInChI=1S/C17H21N5O3S/c1-12-18-16(11-20(12)2)26(24,25)21-9-7-13(8-10-21)22-15-6-4-3-5-14(15)19-17(22)23/h3-6,11,13H,7-10H2,1-2H3,(H,19,23)
InChIKeyURYPSPZNNWVXHE-UHFFFAOYSA-N
XLogP1.40
TPSA92.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-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 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one (CID 47092482) is 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one is Cc1nc(S(=O)(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cn1C.
What is the InChIKey of 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is URYPSPZNNWVXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c1-12-18-16(11-20(12)2)26(24,25)21-9-7-13(8-10-21)22-15-6-4-3-5-14(15)19-17(22)23/h3-6,11,13H,7-10H2,1-2H3,(H,19,23).
What are the key properties of 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 375.45 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 47092482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).