1-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazole

C13H18N4O2S — CID 18125983

IUPAC1-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazole
SMILESCS(=O)(=O)N1CCN(Cn2cnc3ccccc32)CC1
InChIInChI=1S/C13H18N4O2S/c1-20(18,19)17-8-6-15(7-9-17)11-16-10-14-12-4-2-3-5-13(12)16/h2-5,10H,6-9,11H2,1H3
InChIKeyVXOSDZDBZYODFH-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.57
Rot. Bonds3

About 1-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazole

1-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazole (PubChem CID 18125983) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazole.

Molecular Properties

Compound Name1-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazole
PubChem CID18125983
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name1-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazole
SMILESCS(=O)(=O)N1CCN(Cn2cnc3ccccc32)CC1
InChIInChI=1S/C13H18N4O2S/c1-20(18,19)17-8-6-15(7-9-17)11-16-10-14-12-4-2-3-5-13(12)16/h2-5,10H,6-9,11H2,1H3
InChIKeyVXOSDZDBZYODFH-UHFFFAOYSA-N
XLogP0.57
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole
CID 17422149
1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzimidazole
CID 5209936
1-(benzimidazol-1-ylmethyl)piperidine-4-carboxamide
CID 2809739
1-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]benzimidazole
CID 22285131
1-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]benzimidazole
CID 18190414
(4aR,8aR)-2-[2-(benzimidazol-1-yl)ethyl]-7-methylsulfonyl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-4a-ol
CID 72939058
2-(benzimidazol-1-yl)ethanesulfonyl fluoride
CID 4107358
N-[1-(benzimidazol-1-ylmethyl)piperidin-4-yl]benzamide
CID 18142091
1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]benzimidazole
CID 2487038
1-[2-[(3R)-3-methylpiperidin-1-yl]sulfonylethyl]benzimidazole
CID 41421069
3-(benzimidazol-1-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]propanamide
CID 124758885
3-[[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methyl]quinazolin-4-one
CID 4834365

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazole?
The IUPAC name of 1-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazole (CID 18125983) is 1-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazole.
What is the SMILES notation for 1-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazole?
The canonical SMILES for 1-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazole is CS(=O)(=O)N1CCN(Cn2cnc3ccccc32)CC1.
What is the InChIKey of 1-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazole?
The InChIKey is VXOSDZDBZYODFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-20(18,19)17-8-6-15(7-9-17)11-16-10-14-12-4-2-3-5-13(12)16/h2-5,10H,6-9,11H2,1H3.
What are the key properties of 1-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazole?
1-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazole has a molecular weight of 294.38 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazole is sourced from PubChem (CID 18125983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).