N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]propane-1-sulfonamide

C17H20N4O2S — CID 53063270

IUPACN-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCn1c(-c2ccncc2)nc2ccccc21
InChIInChI=1S/C17H20N4O2S/c1-2-13-24(22,23)19-11-12-21-16-6-4-3-5-15(16)20-17(21)14-7-9-18-10-8-14/h3-10,19H,2,11-13H2,1H3
InChIKeyKTPZJQGYTNFJMW-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.43
Rot. Bonds7

About N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]propane-1-sulfonamide

N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]propane-1-sulfonamide (PubChem CID 53063270) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]propane-1-sulfonamide
PubChem CID53063270
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCn1c(-c2ccncc2)nc2ccccc21
InChIInChI=1S/C17H20N4O2S/c1-2-13-24(22,23)19-11-12-21-16-6-4-3-5-15(16)20-17(21)14-7-9-18-10-8-14/h3-10,19H,2,11-13H2,1H3
InChIKeyKTPZJQGYTNFJMW-UHFFFAOYSA-N
XLogP2.43
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]ethanesulfonamide
CID 53063187
3-methyl-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide
CID 53063305
3-chloro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzenesulfonamide
CID 53063297
2-fluoro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzamide
CID 53063086
N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 53063234
3,4-difluoro-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
CID 53063208
3-(2-pyridin-4-ylbenzimidazol-1-yl)propanethioamide
CID 82149829
N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]ethanesulfonamide
CID 46286417
4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide
CID 53063067
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
4-(1-pentylbenzimidazol-2-yl)aniline
CID 82024726
2-[3,5-bis(1-decylbenzimidazol-2-yl)phenyl]-1-decylbenzimidazole
CID 102531556

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]propane-1-sulfonamide (CID 53063270) is N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCn1c(-c2ccncc2)nc2ccccc21.
What is the InChIKey of N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]propane-1-sulfonamide?
The InChIKey is KTPZJQGYTNFJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-2-13-24(22,23)19-11-12-21-16-6-4-3-5-15(16)20-17(21)14-7-9-18-10-8-14/h3-10,19H,2,11-13H2,1H3.
What are the key properties of N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]propane-1-sulfonamide?
N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]propane-1-sulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 53063270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).