1,2-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzimidazole

C14H20N4O2S — CID 110760387

IUPAC1,2-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzimidazole
SMILESCc1nc2cc(S(=O)(=O)N3CCN(C)CC3)ccc2n1C
InChIInChI=1S/C14H20N4O2S/c1-11-15-13-10-12(4-5-14(13)17(11)3)21(19,20)18-8-6-16(2)7-9-18/h4-5,10H,6-9H2,1-3H3
InChIKeyFFRDTVUBAMGXDY-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.82
Rot. Bonds2

About 1,2-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzimidazole

1,2-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzimidazole (PubChem CID 110760387) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 1,2-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzimidazole.

Molecular Properties

Compound Name1,2-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzimidazole
PubChem CID110760387
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name1,2-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzimidazole
SMILESCc1nc2cc(S(=O)(=O)N3CCN(C)CC3)ccc2n1C
InChIInChI=1S/C14H20N4O2S/c1-11-15-13-10-12(4-5-14(13)17(11)3)21(19,20)18-8-6-16(2)7-9-18/h4-5,10H,6-9H2,1-3H3
InChIKeyFFRDTVUBAMGXDY-UHFFFAOYSA-N
XLogP0.82
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1,2-dimethylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]ethanone
CID 110760390
1,2-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzimidazole
CID 110760379
1-(1,2-dimethylbenzimidazol-5-yl)sulfonyl-3,4-dihydro-2H-quinoline
CID 110760434
1,3-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylindole
CID 169298772
5-[chloro(difluoro)methyl]sulfonyl-1,2-dimethylbenzimidazole
CID 12993845
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
1-methyl-4-naphthalen-2-ylsulfonylpiperazine
CID 872090
1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine
CID 43845541
6-(4-methylpiperazin-1-yl)sulfonylquinazoline-2,4-diamine
CID 516579
N,1,2-trimethyl-N-phenylbenzimidazole-5-sulfonamide
CID 110760432
1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine
CID 889439
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzimidazole?
The IUPAC name of 1,2-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzimidazole (CID 110760387) is 1,2-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzimidazole.
What is the SMILES notation for 1,2-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzimidazole?
The canonical SMILES for 1,2-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzimidazole is Cc1nc2cc(S(=O)(=O)N3CCN(C)CC3)ccc2n1C.
What is the InChIKey of 1,2-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzimidazole?
The InChIKey is FFRDTVUBAMGXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-11-15-13-10-12(4-5-14(13)17(11)3)21(19,20)18-8-6-16(2)7-9-18/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 1,2-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzimidazole?
1,2-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzimidazole has a molecular weight of 308.41 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-(4-methylpiperazin-1-yl)sulfonylbenzimidazole is sourced from PubChem (CID 110760387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).