N-(1H-benzimidazol-2-ylmethyl)-2-piperidin-1-ylsulfonylbenzamide

C20H22N4O3S — CID 71904706

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H22N4O3S/c25-20(21-14-19-22-16-9-3-4-10-17(16)23-19)15-8-2-5-11-18(15)28(26,27)24-12-6-1-7-13-24/h2-5,8-11H,1,6-7,12-14H2,(H,21,25)(H,22,23)
InChIKeyDGIRQMUOHRUVMA-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.67
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-2-piperidin-1-ylsulfonylbenzamide

N-(1H-benzimidazol-2-ylmethyl)-2-piperidin-1-ylsulfonylbenzamide (PubChem CID 71904706) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-piperidin-1-ylsulfonylbenzamide
PubChem CID71904706
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H22N4O3S/c25-20(21-14-19-22-16-9-3-4-10-17(16)23-19)15-8-2-5-11-18(15)28(26,27)24-12-6-1-7-13-24/h2-5,8-11H,1,6-7,12-14H2,(H,21,25)(H,22,23)
InChIKeyDGIRQMUOHRUVMA-UHFFFAOYSA-N
XLogP2.67
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2333186
N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26880642
N-(1H-benzimidazol-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 2547545
N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 78794594
N-(1H-benzimidazol-2-ylmethyl)-2-fluorobenzamide
CID 947655
N-(1H-benzimidazol-2-ylmethyl)pyrrolidine-1-sulfonamide
CID 78991651
N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26119072
2-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 37172492
N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 7546016
3-[(2-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 119177170
N-(1H-benzimidazol-2-ylmethyl)-5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 112791035
N-(2-amino-2-methylpropyl)-2-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119627285

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-piperidin-1-ylsulfonylbenzamide (CID 71904706) is N-(1H-benzimidazol-2-ylmethyl)-2-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-piperidin-1-ylsulfonylbenzamide is O=C(NCc1nc2ccccc2[nH]1)c1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-piperidin-1-ylsulfonylbenzamide?
The InChIKey is DGIRQMUOHRUVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c25-20(21-14-19-22-16-9-3-4-10-17(16)23-19)15-8-2-5-11-18(15)28(26,27)24-12-6-1-7-13-24/h2-5,8-11H,1,6-7,12-14H2,(H,21,25)(H,22,23).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-piperidin-1-ylsulfonylbenzamide?
N-(1H-benzimidazol-2-ylmethyl)-2-piperidin-1-ylsulfonylbenzamide has a molecular weight of 398.49 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 71904706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).