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

C25H24N4O3S — CID 4231132

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C25H24N4O3S/c30-25(19-10-14-21(15-11-19)33(31,32)29-16-4-1-5-17-29)26-20-12-8-18(9-13-20)24-27-22-6-2-3-7-23(22)28-24/h2-3,6-15H,1,4-5,16-17H2,(H,26,30)(H,27,28)
InChIKeyDPRKSCGJJHXLAL-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.66
Rot. Bonds5

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

N-[4-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 4231132) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide
PubChem CID4231132
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C25H24N4O3S/c30-25(19-10-14-21(15-11-19)33(31,32)29-16-4-1-5-17-29)26-20-12-8-18(9-13-20)24-27-22-6-2-3-7-23(22)28-24/h2-3,6-15H,1,4-5,16-17H2,(H,26,30)(H,27,28)
InChIKeyDPRKSCGJJHXLAL-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-[4-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide (CID 4231132) is N-[4-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is DPRKSCGJJHXLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c30-25(19-10-14-21(15-11-19)33(31,32)29-16-4-1-5-17-29)26-20-12-8-18(9-13-20)24-27-22-6-2-3-7-23(22)28-24/h2-3,6-15H,1,4-5,16-17H2,(H,26,30)(H,27,28).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide?
N-[4-(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-[4-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 4231132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).