N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethoxybenzenesulfonamide

C23H23N3O3S — CID 46379408

IUPACN-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2CCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C23H23N3O3S/c1-2-29-18-12-14-19(15-13-18)30(27,28)26-20-8-4-3-7-17(20)11-16-23-24-21-9-5-6-10-22(21)25-23/h3-10,12-15,26H,2,11,16H2,1H3,(H,24,25)
InChIKeyNBEYGIUJMYNJBP-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.55
Rot. Bonds8

About N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethoxybenzenesulfonamide

N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethoxybenzenesulfonamide (PubChem CID 46379408) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethoxybenzenesulfonamide
PubChem CID46379408
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC NameN-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2CCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C23H23N3O3S/c1-2-29-18-12-14-19(15-13-18)30(27,28)26-20-8-4-3-7-17(20)11-16-23-24-21-9-5-6-10-22(21)25-23/h3-10,12-15,26H,2,11,16H2,1H3,(H,24,25)
InChIKeyNBEYGIUJMYNJBP-UHFFFAOYSA-N
XLogP4.55
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenoxy)methyl]-1H-benzimidazole
CID 699923
6-methoxy-2-[(4-phenoxyphenyl)methyl]-1H-benzimidazole
CID 9797585
2-[(4-phenoxyphenyl)methyl]-1H-benzimidazole
CID 9817808
2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-amine
CID 9883372
N-{2-[5-(4-methoxyphenyl)-2-phenyl-1H-imidazol-4-yl]ethyl}-4-methylbenzene-1-sulfonamide
CID 24825363
N-(2-(4-phenoxybenzyl)benzimidazol-5-yl)methanesulfonamide
CID 9865365
2-[(2-methylphenoxy)methyl]-1H-benzimidazole
CID 709499
2-(4-(4-Carbamimidoylphenoxy)phenyl)-1H-benzo[D]imidazole-6-carboximidamide
CID 456167
1-(2-Ethoxy-5-methylphenyl)sulfonylbenzimidazole
CID 850116
2-(4-butoxyphenyl)-1H-benzimidazole
CID 5176717
N-[2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 9825245
N-[2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-yl]propane-1-sulfonamide
CID 9828572

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethoxybenzenesulfonamide (CID 46379408) is N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccccc2CCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethoxybenzenesulfonamide?
The InChIKey is NBEYGIUJMYNJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-2-29-18-12-14-19(15-13-18)30(27,28)26-20-8-4-3-7-17(20)11-16-23-24-21-9-5-6-10-22(21)25-23/h3-10,12-15,26H,2,11,16H2,1H3,(H,24,25).
What are the key properties of N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethoxybenzenesulfonamide?
N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethoxybenzenesulfonamide has a molecular weight of 421.52 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 46379408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).