5-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one

C16H18N4O3S2 — CID 110642512

IUPAC5-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccc4[nH]c(=O)[nH]c4c3)CC2)s1
InChIInChI=1S/C16H18N4O3S2/c1-11-2-5-15(24-11)25(22,23)20-8-6-19(7-9-20)12-3-4-13-14(10-12)18-16(21)17-13/h2-5,10H,6-9H2,1H3,(H2,17,18,21)
InChIKeyDZEQBZYPWBNCMB-UHFFFAOYSA-N
MW378.48 g/mol
LogP1.74
Rot. Bonds3

About 5-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one

5-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 110642512) has the molecular formula C16H18N4O3S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 5-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID110642512
Molecular FormulaC16H18N4O3S2
Molecular Weight378.48 g/mol
Exact Mass378.08
IUPAC Name5-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccc4[nH]c(=O)[nH]c4c3)CC2)s1
InChIInChI=1S/C16H18N4O3S2/c1-11-2-5-15(24-11)25(22,23)20-8-6-19(7-9-20)12-3-4-13-14(10-12)18-16(21)17-13/h2-5,10H,6-9H2,1H3,(H2,17,18,21)
InChIKeyDZEQBZYPWBNCMB-UHFFFAOYSA-N
XLogP1.74
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-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

Related Compounds

5-(4-ethylsulfonylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one
CID 110642497
6-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 110640837
5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110642503
1-(4-ethylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 113075955
5-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110642516
1-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 51182519
1-(2-tert-butylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 113076523
7-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110358105
5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110642429
1-(3-chloro-4-methylphenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113076892
5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 18524431
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]acetamide
CID 26424229

Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one (CID 110642512) is 5-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one is Cc1ccc(S(=O)(=O)N2CCN(c3ccc4[nH]c(=O)[nH]c4c3)CC2)s1.
What is the InChIKey of 5-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is DZEQBZYPWBNCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S2/c1-11-2-5-15(24-11)25(22,23)20-8-6-19(7-9-20)12-3-4-13-14(10-12)18-16(21)17-13/h2-5,10H,6-9H2,1H3,(H2,17,18,21).
What are the key properties of 5-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one?
5-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 378.48 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 110642512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).