N-(1H-benzimidazol-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide

C20H22N4O3S — CID 2333186

IUPACN-(1H-benzimidazol-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H22N4O3S/c25-20(21-14-19-22-17-9-2-3-10-18(17)23-19)15-7-6-8-16(13-15)28(26,27)24-11-4-1-5-12-24/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,21,25)(H,22,23)
InChIKeyPZWVVGZPTUNFHO-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.67
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide

N-(1H-benzimidazol-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 2333186) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID2333186
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H22N4O3S/c25-20(21-14-19-22-17-9-2-3-10-18(17)23-19)15-7-6-8-16(13-15)28(26,27)24-11-4-1-5-12-24/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,21,25)(H,22,23)
InChIKeyPZWVVGZPTUNFHO-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-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 112791112
N-(1H-benzimidazol-2-ylmethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 71904706
N-(1H-benzimidazol-2-ylmethyl)-3-(cyclopropylsulfamoyl)benzamide
CID 18105121
N-(1H-benzimidazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 2583657
3-(azepan-1-ylsulfonyl)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]benzamide
CID 2515814
N-(pyridin-2-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8880625
N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 7546016
3-(azepan-1-ylsulfonyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzamide
CID 87043422
N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylbenzamide
CID 117088058
3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 2597746
N-(1H-benzimidazol-2-ylmethyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 112791077
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 30251226

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide (CID 2333186) is N-(1H-benzimidazol-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide is O=C(NCc1nc2ccccc2[nH]1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is PZWVVGZPTUNFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c25-20(21-14-19-22-17-9-2-3-10-18(17)23-19)15-7-6-8-16(13-15)28(26,27)24-11-4-1-5-12-24/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,21,25)(H,22,23).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide?
N-(1H-benzimidazol-2-ylmethyl)-3-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)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2333186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).