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3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide

C17H19N5O3S2 — CID 50777025

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCn1cnc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1nccs1
InChIInChI=1S/C17H19N5O3S2/c23-16(20-17-18-6-10-26-17)5-9-21-12-19-14-11-13(3-4-15(14)21)27(24,25)22-7-1-2-8-22/h3-4,6,10-12H,1-2,5,7-9H2,(H,18,20,23)
InChIKeyPWWVZPCGFNBROP-UHFFFAOYSA-N
MW405.51 g/mol
LogP2.31
Rot. Bonds6

About 3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide

3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 50777025) has the molecular formula C17H19N5O3S2 and a molecular weight of 405.51 g/mol. Its IUPAC name is 3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID50777025
Molecular FormulaC17H19N5O3S2
Molecular Weight405.51 g/mol
Exact Mass405.09
IUPAC Name3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCn1cnc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1nccs1
InChIInChI=1S/C17H19N5O3S2/c23-16(20-17-18-6-10-26-17)5-9-21-12-19-14-11-13(3-4-15(14)21)27(24,25)22-7-1-2-8-22/h3-4,6,10-12H,1-2,5,7-9H2,(H,18,20,23)
InChIKeyPWWVZPCGFNBROP-UHFFFAOYSA-N
XLogP2.31
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 50777025) is 3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide is O=C(CCn1cnc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1nccs1.
What is the InChIKey of 3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is PWWVZPCGFNBROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S2/c23-16(20-17-18-6-10-26-17)5-9-21-12-19-14-11-13(3-4-15(14)21)27(24,25)22-7-1-2-8-22/h3-4,6,10-12H,1-2,5,7-9H2,(H,18,20,23).
What are the key properties of 3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 405.51 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 50777025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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