N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide

C22H28N4O2S — CID 665978

IUPACN-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide
SMILESCC1CCN(CCc2nc3cc(NS(=O)(=O)c4ccccc4)ccc3n2C)CC1
InChIInChI=1S/C22H28N4O2S/c1-17-10-13-26(14-11-17)15-12-22-23-20-16-18(8-9-21(20)25(22)2)24-29(27,28)19-6-4-3-5-7-19/h3-9,16-17,24H,10-15H2,1-2H3
InChIKeyJOPYSHUIKNLFHH-UHFFFAOYSA-N
MW412.56 g/mol
LogP3.65
Rot. Bonds6

About N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide

N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide (PubChem CID 665978) has the molecular formula C22H28N4O2S and a molecular weight of 412.56 g/mol. Its IUPAC name is N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide
PubChem CID665978
Molecular FormulaC22H28N4O2S
Molecular Weight412.56 g/mol
Exact Mass412.19
IUPAC NameN-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide
SMILESCC1CCN(CCc2nc3cc(NS(=O)(=O)c4ccccc4)ccc3n2C)CC1
InChIInChI=1S/C22H28N4O2S/c1-17-10-13-26(14-11-17)15-12-22-23-20-16-18(8-9-21(20)25(22)2)24-29(27,28)19-6-4-3-5-7-19/h3-9,16-17,24H,10-15H2,1-2H3
InChIKeyJOPYSHUIKNLFHH-UHFFFAOYSA-N
XLogP3.65
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Grapiprant
CID 11677589
Pf-05212377
CID 46203710
Ethanesulfonamide, N-(1-((4,4-difluorocyclohexyl)methyl)-2-(1,1-dimethylethyl)-1H-benzimidazol-5-yl)-
CID 11675994
3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-5-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 10273854
3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 24949704
N-(1-benzyl-1H-benzo[d]imidazol-5-yl)-2,4,6-trimethylbenzenesulfonamide
CID 44567335
4-(5-Benzenesulfonylamino-1-methyl-1H-benzoimidazol-2-ylmethyl)-benzamidine
CID 446805
N-(2-((4-benzylpiperidin-1-yl)methyl)benzimidazol-5-yl)methanesulfonamide
CID 9822219
N-[2-tert-butyl-1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-5-yl]methanesulfonamide
CID 57441073
4-Fluoro-3-methyl-N-(2-methyl-1H-benzoimidazol-5-yl)-benzenesulfonamide
CID 3160828
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methylbenzenesulfonamide
CID 780101
Oryzalin metabolite OR-14
CID 101913340

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide (CID 665978) is N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide is CC1CCN(CCc2nc3cc(NS(=O)(=O)c4ccccc4)ccc3n2C)CC1.
What is the InChIKey of N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is JOPYSHUIKNLFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2S/c1-17-10-13-26(14-11-17)15-12-22-23-20-16-18(8-9-21(20)25(22)2)24-29(27,28)19-6-4-3-5-7-19/h3-9,16-17,24H,10-15H2,1-2H3.
What are the key properties of N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide?
N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 412.56 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 665978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).