2,4-dimethyl-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide

C24H25N3O2S — CID 20972066

IUPAC2,4-dimethyl-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)c(C)c1
InChIInChI=1S/C24H25N3O2S/c1-17-11-13-23(18(2)15-17)30(28,29)26-20-8-6-7-19(16-20)12-14-24-25-21-9-4-5-10-22(21)27(24)3/h4-11,13,15-16,26H,12,14H2,1-3H3
InChIKeyVHRLIEIJZVTCBZ-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.78
Rot. Bonds6

About 2,4-dimethyl-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide

2,4-dimethyl-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide (PubChem CID 20972066) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is 2,4-dimethyl-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
PubChem CID20972066
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name2,4-dimethyl-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)c(C)c1
InChIInChI=1S/C24H25N3O2S/c1-17-11-13-23(18(2)15-17)30(28,29)26-20-8-6-7-19(16-20)12-14-24-25-21-9-4-5-10-22(21)27(24)3/h4-11,13,15-16,26H,12,14H2,1-3H3
InChIKeyVHRLIEIJZVTCBZ-UHFFFAOYSA-N
XLogP4.78
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-difluoro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 46379452
4-methoxy-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972051
1-(2,5-dimethylphenyl)-3-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 50825646
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-2-(4-methylphenyl)acetamide
CID 50784494
2-ethyl-N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972046
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 20933815
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 50822902
N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide
CID 50822859
2-chloro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46328429
1-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 46382209
2,4,5-trimethyl-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972167
1-ethyl-N-[3-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]pyrazole-4-sulfonamide
CID 50822864

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide (CID 20972066) is 2,4-dimethyl-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(CCc3nc4ccccc4n3C)c2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
The InChIKey is VHRLIEIJZVTCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-17-11-13-23(18(2)15-17)30(28,29)26-20-8-6-7-19(16-20)12-14-24-25-21-9-4-5-10-22(21)27(24)3/h4-11,13,15-16,26H,12,14H2,1-3H3.
What are the key properties of 2,4-dimethyl-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
2,4-dimethyl-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide has a molecular weight of 419.55 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 20972066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).