N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide

C26H26N4O3S — CID 3481507

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C26H26N4O3S/c1-18-9-14-21(34(32,33)30-15-5-2-6-16-30)17-22(18)26(31)27-20-12-10-19(11-13-20)25-28-23-7-3-4-8-24(23)29-25/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,27,31)(H,28,29)
InChIKeyBUBWAFNQRFCKII-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.97
Rot. Bonds5

About N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 3481507) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
PubChem CID3481507
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C26H26N4O3S/c1-18-9-14-21(34(32,33)30-15-5-2-6-16-30)17-22(18)26(31)27-20-12-10-19(11-13-20)25-28-23-7-3-4-8-24(23)29-25/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,27,31)(H,28,29)
InChIKeyBUBWAFNQRFCKII-UHFFFAOYSA-N
XLogP4.97
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 26264651
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 39911760
2-(4-piperidin-1-ylsulfonylphenyl)-1H-benzimidazole
CID 101077984
5-(azepan-1-ylsulfonyl)-N-(4-methoxyphenyl)-2-methylbenzamide
CID 53281671
N-(4-iodophenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 26638354
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-ethylsulfonylbenzamide
CID 166200173
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 24659572
N-(3,5-dimethylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 29176549
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide
CID 1010223
N-(3,5-dimethylphenyl)-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26696294
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-bromo-5-sulfamoylbenzamide
CID 166201051
5-(azepan-1-ylsulfonyl)-2-methyl-N-(2-methylphenyl)benzamide
CID 53281813

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide (CID 3481507) is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is BUBWAFNQRFCKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-18-9-14-21(34(32,33)30-15-5-2-6-16-30)17-22(18)26(31)27-20-12-10-19(11-13-20)25-28-23-7-3-4-8-24(23)29-25/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,27,31)(H,28,29).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 474.59 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 3481507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).