1,3-dimethyl-5-(2-methylpiperazin-1-yl)sulfonylbenzimidazol-2-one;hydrochloride

C14H21ClN4O3S — CID 119969942

IUPAC1,3-dimethyl-5-(2-methylpiperazin-1-yl)sulfonylbenzimidazol-2-one;hydrochloride
SMILESCC1CNCCN1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C.Cl
InChIInChI=1S/C14H20N4O3S.ClH/c1-10-9-15-6-7-18(10)22(20,21)11-4-5-12-13(8-11)17(3)14(19)16(12)2;/h4-5,8,10,15H,6-7,9H2,1-3H3;1H
InChIKeyUERBEHBEAMGRPR-UHFFFAOYSA-N
MW360.87 g/mol
LogP0.28
Rot. Bonds2

About 1,3-dimethyl-5-(2-methylpiperazin-1-yl)sulfonylbenzimidazol-2-one;hydrochloride

1,3-dimethyl-5-(2-methylpiperazin-1-yl)sulfonylbenzimidazol-2-one;hydrochloride (PubChem CID 119969942) has the molecular formula C14H21ClN4O3S and a molecular weight of 360.87 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2-methylpiperazin-1-yl)sulfonylbenzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name1,3-dimethyl-5-(2-methylpiperazin-1-yl)sulfonylbenzimidazol-2-one;hydrochloride
PubChem CID119969942
Molecular FormulaC14H21ClN4O3S
Molecular Weight360.87 g/mol
Exact Mass360.10
IUPAC Name1,3-dimethyl-5-(2-methylpiperazin-1-yl)sulfonylbenzimidazol-2-one;hydrochloride
SMILESCC1CNCCN1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C.Cl
InChIInChI=1S/C14H20N4O3S.ClH/c1-10-9-15-6-7-18(10)22(20,21)11-4-5-12-13(8-11)17(3)14(19)16(12)2;/h4-5,8,10,15H,6-7,9H2,1-3H3;1H
InChIKeyUERBEHBEAMGRPR-UHFFFAOYSA-N
XLogP0.28
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-5-(2-methylpiperazin-1-yl)sulfonylbenzimidazol-2-one;hydrochloride 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

(2R)-1-(3,4-dimethylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716906
2-methyl-5-(2-methylpiperazin-1-yl)sulfonylisoindole-1,3-dione;hydrochloride
CID 119970068
(2R)-2-methyl-1-(4-methylsulfonylphenyl)sulfonylpiperazine;hydrochloride
CID 120716978
2-methyl-1-(4-methylphenyl)sulfonylpiperazine;hydrochloride
CID 119969701
(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716815
(2S)-1-(4-iodophenyl)sulfonyl-2-methylpiperazine
CID 82755760
(2R)-1-(3-bromo-4-chlorophenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120716985
(2S)-2-methyl-1-(3-methylphenyl)sulfonylpiperazine
CID 82755571
1-(3-fluoro-4-methylsulfonylphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 119969694
1-(4-fluoro-3-methoxyphenyl)sulfonyl-2-methylpiperazine;hydrochloride
CID 120708137
1-(3-chloro-4-fluorophenyl)sulfonyl-2-methylpiperazine
CID 62672089
(2R)-1-(3-bromo-4-fluorophenyl)sulfonyl-2-methylpiperazine
CID 120716934

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(2-methylpiperazin-1-yl)sulfonylbenzimidazol-2-one;hydrochloride?
The IUPAC name of 1,3-dimethyl-5-(2-methylpiperazin-1-yl)sulfonylbenzimidazol-2-one;hydrochloride (CID 119969942) is 1,3-dimethyl-5-(2-methylpiperazin-1-yl)sulfonylbenzimidazol-2-one;hydrochloride.
What is the SMILES notation for 1,3-dimethyl-5-(2-methylpiperazin-1-yl)sulfonylbenzimidazol-2-one;hydrochloride?
The canonical SMILES for 1,3-dimethyl-5-(2-methylpiperazin-1-yl)sulfonylbenzimidazol-2-one;hydrochloride is CC1CNCCN1S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C.Cl.
What is the InChIKey of 1,3-dimethyl-5-(2-methylpiperazin-1-yl)sulfonylbenzimidazol-2-one;hydrochloride?
The InChIKey is UERBEHBEAMGRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3S.ClH/c1-10-9-15-6-7-18(10)22(20,21)11-4-5-12-13(8-11)17(3)14(19)16(12)2;/h4-5,8,10,15H,6-7,9H2,1-3H3;1H.
What are the key properties of 1,3-dimethyl-5-(2-methylpiperazin-1-yl)sulfonylbenzimidazol-2-one;hydrochloride?
1,3-dimethyl-5-(2-methylpiperazin-1-yl)sulfonylbenzimidazol-2-one;hydrochloride has a molecular weight of 360.87 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2-methylpiperazin-1-yl)sulfonylbenzimidazol-2-one;hydrochloride is sourced from PubChem (CID 119969942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).