N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-3-sulfamoylbenzamide

C20H23N5O3S — CID 118725837

IUPACN-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3n2CCN2CCCC2)c1
InChIInChI=1S/C20H23N5O3S/c21-29(27,28)16-7-5-6-15(14-16)19(26)23-20-22-17-8-1-2-9-18(17)25(20)13-12-24-10-3-4-11-24/h1-2,5-9,14H,3-4,10-13H2,(H2,21,27,28)(H,22,23,26)
InChIKeyWHBMGYFDSILCLH-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.03
Rot. Bonds6

About N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-3-sulfamoylbenzamide

N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-3-sulfamoylbenzamide (PubChem CID 118725837) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-3-sulfamoylbenzamide
PubChem CID118725837
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC NameN-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-3-sulfamoylbenzamide
SMILESNS(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3n2CCN2CCCC2)c1
InChIInChI=1S/C20H23N5O3S/c21-29(27,28)16-7-5-6-15(14-16)19(26)23-20-22-17-8-1-2-9-18(17)25(20)13-12-24-10-3-4-11-24/h1-2,5-9,14H,3-4,10-13H2,(H2,21,27,28)(H,22,23,26)
InChIKeyWHBMGYFDSILCLH-UHFFFAOYSA-N
XLogP2.03
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-3-sulfamoylbenzamide?
The IUPAC name of N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-3-sulfamoylbenzamide (CID 118725837) is N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-3-sulfamoylbenzamide.
What is the SMILES notation for N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-3-sulfamoylbenzamide?
The canonical SMILES for N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-3-sulfamoylbenzamide is NS(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3n2CCN2CCCC2)c1.
What is the InChIKey of N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-3-sulfamoylbenzamide?
The InChIKey is WHBMGYFDSILCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c21-29(27,28)16-7-5-6-15(14-16)19(26)23-20-22-17-8-1-2-9-18(17)25(20)13-12-24-10-3-4-11-24/h1-2,5-9,14H,3-4,10-13H2,(H2,21,27,28)(H,22,23,26).
What are the key properties of N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-3-sulfamoylbenzamide?
N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-3-sulfamoylbenzamide has a molecular weight of 413.50 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]-3-sulfamoylbenzamide is sourced from PubChem (CID 118725837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).