[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone

C26H32N4O3S — CID 55534904

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCCCC2C)cc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C26H32N4O3S/c1-18-10-11-21(34(32,33)30-14-6-5-7-19(30)2)17-22(18)26(31)29-15-12-20(13-16-29)25-27-23-8-3-4-9-24(23)28-25/h3-4,8-11,17,19-20H,5-7,12-16H2,1-2H3,(H,27,28)
InChIKeyHCCIVBFMMXYLJA-UHFFFAOYSA-N
MW480.63 g/mol
LogP4.45
Rot. Bonds4

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone (PubChem CID 55534904) has the molecular formula C26H32N4O3S and a molecular weight of 480.63 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
PubChem CID55534904
Molecular FormulaC26H32N4O3S
Molecular Weight480.63 g/mol
Exact Mass480.22
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCCCC2C)cc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C26H32N4O3S/c1-18-10-11-21(34(32,33)30-14-6-5-7-19(30)2)17-22(18)26(31)29-15-12-20(13-16-29)25-27-23-8-3-4-9-24(23)28-25/h3-4,8-11,17,19-20H,5-7,12-16H2,1-2H3,(H,27,28)
InChIKeyHCCIVBFMMXYLJA-UHFFFAOYSA-N
XLogP4.45
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone with MolForge

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Related Compounds

[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 55329074
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-5-methylsulfonylphenyl)methanone
CID 51270047
[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 3223538
6-chloro-2-[1-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylphenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 98111895
4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 43981442
N-(1H-benzimidazol-2-ylmethyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 112791077
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 33119811
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,3,4,5-tetrafluorophenyl)methanone
CID 71898934
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 120808641
4-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 166205070
2-[1-[[(2S)-1-(3-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]piperidin-4-yl]-1H-benzimidazole
CID 54419323
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 23853309

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone (CID 55534904) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone is Cc1ccc(S(=O)(=O)N2CCCCC2C)cc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone?
The InChIKey is HCCIVBFMMXYLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3S/c1-18-10-11-21(34(32,33)30-14-6-5-7-19(30)2)17-22(18)26(31)29-15-12-20(13-16-29)25-27-23-8-3-4-9-24(23)28-25/h3-4,8-11,17,19-20H,5-7,12-16H2,1-2H3,(H,27,28).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone?
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone has a molecular weight of 480.63 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone is sourced from PubChem (CID 55534904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).