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

C25H24N4O3S — CID 1355735

IUPACN-[2-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C25H24N4O3S/c30-25(18-12-14-19(15-13-18)33(31,32)29-16-6-1-7-17-29)28-21-9-3-2-8-20(21)24-26-22-10-4-5-11-23(22)27-24/h2-5,8-15H,1,6-7,16-17H2,(H,26,27)(H,28,30)
InChIKeyRRHACITXXDWILZ-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.66
Rot. Bonds5

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

N-[2-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 1355735) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide
PubChem CID1355735
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC NameN-[2-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C25H24N4O3S/c30-25(18-12-14-19(15-13-18)33(31,32)29-16-6-1-7-17-29)28-21-9-3-2-8-20(21)24-26-22-10-4-5-11-23(22)27-24/h2-5,8-15H,1,6-7,16-17H2,(H,26,27)(H,28,30)
InChIKeyRRHACITXXDWILZ-UHFFFAOYSA-N
XLogP4.66
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide (CID 1355735) is N-[2-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide is O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is RRHACITXXDWILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c30-25(18-12-14-19(15-13-18)33(31,32)29-16-6-1-7-17-29)28-21-9-3-2-8-20(21)24-26-22-10-4-5-11-23(22)27-24/h2-5,8-15H,1,6-7,16-17H2,(H,26,27)(H,28,30).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide?
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 460.56 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1355735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).