N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,5-dimethylbenzenesulfonamide

C25H27N3O2S — CID 50822902

IUPACN-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,5-dimethylbenzenesulfonamide
SMILESCCn1c(CCc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)nc2ccccc21
InChIInChI=1S/C25H27N3O2S/c1-4-28-23-8-6-5-7-22(23)26-25(28)16-13-20-11-14-21(15-12-20)27-31(29,30)24-17-18(2)9-10-19(24)3/h5-12,14-15,17,27H,4,13,16H2,1-3H3
InChIKeyDIQDBSMTXPODBI-UHFFFAOYSA-N
MW433.58 g/mol
LogP5.26
Rot. Bonds7

About N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,5-dimethylbenzenesulfonamide

N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 50822902) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,5-dimethylbenzenesulfonamide
PubChem CID50822902
Molecular FormulaC25H27N3O2S
Molecular Weight433.58 g/mol
Exact Mass433.18
IUPAC NameN-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,5-dimethylbenzenesulfonamide
SMILESCCn1c(CCc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)nc2ccccc21
InChIInChI=1S/C25H27N3O2S/c1-4-28-23-8-6-5-7-22(23)26-25(28)16-13-20-11-14-21(15-12-20)27-31(29,30)24-17-18(2)9-10-19(24)3/h5-12,14-15,17,27H,4,13,16H2,1-3H3
InChIKeyDIQDBSMTXPODBI-UHFFFAOYSA-N
XLogP5.26
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.58
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 50822870
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 46379481
2-ethyl-N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972046
2,4,5-trimethyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972167
2,4-dimethyl-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972066
N-(1,3-diethyl-2-oxobenzimidazol-5-yl)-2,5-dimethylbenzenesulfonamide
CID 50796603
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]cyclopropanecarboxamide
CID 50765566
2-chloro-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 46379549
2-ethyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
CID 53063363
3-chloro-N-[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-methylbenzenesulfonamide
CID 46379345
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-methoxybenzamide
CID 50765558
1-(3,4-dimethylphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea
CID 46287188

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,5-dimethylbenzenesulfonamide (CID 50822902) is N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,5-dimethylbenzenesulfonamide is CCn1c(CCc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)nc2ccccc21.
What is the InChIKey of N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is DIQDBSMTXPODBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2S/c1-4-28-23-8-6-5-7-22(23)26-25(28)16-13-20-11-14-21(15-12-20)27-31(29,30)24-17-18(2)9-10-19(24)3/h5-12,14-15,17,27H,4,13,16H2,1-3H3.
What are the key properties of N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,5-dimethylbenzenesulfonamide?
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 433.58 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 50822902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).