N-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide

C25H27N3O4S — CID 2909411

IUPACN-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1ccc(N(CC(O)Cn2c(C)nc3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H27N3O4S/c1-18-8-14-23(15-9-18)33(30,31)28(20-10-12-22(32-3)13-11-20)17-21(29)16-27-19(2)26-24-6-4-5-7-25(24)27/h4-15,21,29H,16-17H2,1-3H3
InChIKeyDINSBPGJMCGVAB-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.92
Rot. Bonds8

About N-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide

N-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 2909411) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
PubChem CID2909411
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC NameN-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1ccc(N(CC(O)Cn2c(C)nc3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C25H27N3O4S/c1-18-8-14-23(15-9-18)33(30,31)28(20-10-12-22(32-3)13-11-20)17-21(29)16-27-19(2)26-24-6-4-5-7-25(24)27/h4-15,21,29H,16-17H2,1-3H3
InChIKeyDINSBPGJMCGVAB-UHFFFAOYSA-N
XLogP3.92
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[(2-Methoxyphenyl)methyl]benzimidazol-2-yl]methanol
CID 755585
{1-[3-(3-methylphenoxy)propyl]-1H-benzimidazol-2-yl}methanol
CID 2945566
(1-(4-(o-tolyloxy)butyl)-1H-benzo[d]imidazol-2-yl)methanol
CID 3155846
[1-(4-m-Tolyloxy-butyl)-1H-benzoimidazol-2-yl]-methanol
CID 3155847
[1-[3-(4-Methylphenoxy)propyl]-2-benzimidazolyl]methanol
CID 2945948
N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 24748635
[1-[3-(2-Methylphenoxy)propyl]benzimidazol-2-yl]methanol
CID 3155840
1-(3-Methoxybenzyl)-2-(3-methoxyphenyl)-1h-benzimidazole
CID 73265446
3-[1-(2-m-Tolyloxy-ethyl)-1H-benzoimidazol-2-yl]-propan-1-ol
CID 652963
3-{1-[(2-Methoxyphenyl)methyl]benzimidazol-2-yl}propan-1-ol
CID 660366
1-(4-methoxyphenethyl)-3-(phenylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2014189
1-[2-(3-Methylphenoxy)ethyl]benzimidazole-2-sulfonic acid
CID 2772550

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide (CID 2909411) is N-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide is COc1ccc(N(CC(O)Cn2c(C)nc3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is DINSBPGJMCGVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-18-8-14-23(15-9-18)33(30,31)28(20-10-12-22(32-3)13-11-20)17-21(29)16-27-19(2)26-24-6-4-5-7-25(24)27/h4-15,21,29H,16-17H2,1-3H3.
What are the key properties of N-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
N-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 465.58 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 2909411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).