N-(1-propylbenzimidazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide

C21H24N4O3S — CID 3000022

IUPACN-(1-propylbenzimidazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCCn1c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)nc2ccccc21
InChIInChI=1S/C21H24N4O3S/c1-2-12-25-19-11-4-3-10-18(19)22-21(25)23-20(26)16-8-7-9-17(15-16)29(27,28)24-13-5-6-14-24/h3-4,7-11,15H,2,5-6,12-14H2,1H3,(H,22,23,26)
InChIKeyURSKZILGGPFGHW-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.48
Rot. Bonds6

About N-(1-propylbenzimidazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide

N-(1-propylbenzimidazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 3000022) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-(1-propylbenzimidazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1-propylbenzimidazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID3000022
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-(1-propylbenzimidazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCCn1c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)nc2ccccc21
InChIInChI=1S/C21H24N4O3S/c1-2-12-25-19-11-4-3-10-18(19)22-21(25)23-20(26)16-8-7-9-17(15-16)29(27,28)24-13-5-6-14-24/h3-4,7-11,15H,2,5-6,12-14H2,1H3,(H,22,23,26)
InChIKeyURSKZILGGPFGHW-UHFFFAOYSA-N
XLogP3.48
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-propylbenzimidazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(1-propylbenzimidazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide (CID 3000022) is N-(1-propylbenzimidazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(1-propylbenzimidazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(1-propylbenzimidazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide is CCCn1c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)nc2ccccc21.
What is the InChIKey of N-(1-propylbenzimidazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is URSKZILGGPFGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-2-12-25-19-11-4-3-10-18(19)22-21(25)23-20(26)16-8-7-9-17(15-16)29(27,28)24-13-5-6-14-24/h3-4,7-11,15H,2,5-6,12-14H2,1H3,(H,22,23,26).
What are the key properties of N-(1-propylbenzimidazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
N-(1-propylbenzimidazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 412.52 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propylbenzimidazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 3000022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).