N-(1-benzylbenzimidazol-5-yl)-2,4,6-trimethylbenzenesulfonamide

C23H23N3O2S — CID 44567335

IUPACN-(1-benzylbenzimidazol-5-yl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)ncn3Cc2ccccc2)c(C)c1
InChIInChI=1S/C23H23N3O2S/c1-16-11-17(2)23(18(3)12-16)29(27,28)25-20-9-10-22-21(13-20)24-15-26(22)14-19-7-5-4-6-8-19/h4-13,15,25H,14H2,1-3H3
InChIKeyNZGPNMYYBHSCBR-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.81
Rot. Bonds5

About N-(1-benzylbenzimidazol-5-yl)-2,4,6-trimethylbenzenesulfonamide

N-(1-benzylbenzimidazol-5-yl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 44567335) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-(1-benzylbenzimidazol-5-yl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzylbenzimidazol-5-yl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID44567335
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC NameN-(1-benzylbenzimidazol-5-yl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)ncn3Cc2ccccc2)c(C)c1
InChIInChI=1S/C23H23N3O2S/c1-16-11-17(2)23(18(3)12-16)29(27,28)25-20-9-10-22-21(13-20)24-15-26(22)14-19-7-5-4-6-8-19/h4-13,15,25H,14H2,1-3H3
InChIKeyNZGPNMYYBHSCBR-UHFFFAOYSA-N
XLogP4.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethanesulfonamide, N-(1-((4,4-difluorocyclohexyl)methyl)-2-(1,1-dimethylethyl)-1H-benzimidazol-5-yl)-
CID 11675994
4-(5-Benzenesulfonylamino-1-methyl-1H-benzoimidazol-2-ylmethyl)-benzamidine
CID 446805
1-(Mesitylsulfonyl)-1H-benzimidazole
CID 576712
1-(Toluene-4-sulfonyl)-1H-benzoimidazole
CID 746711
N-(1-benzyl-1H-benzo[d]imidazol-5-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 44567354
N-[6-[(2,4-difluorophenyl)sulfamoyl]-3-[2-(4-fluorophenyl)ethyl]benzimidazol-4-yl]acetamide
CID 122179031
4-methyl-N-(2-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenyl)benzenesulfonamide
CID 1147318
N-(2-benzyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-8-yl)benzenesulfonamide
CID 2039682
4-methyl-N-[2-(phenylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzenesulfonamide
CID 2211754
1-methyl-N-[(4-methylphenyl)methyl]benzimidazol-5-amine
CID 866268
N-(1-benzyl-5,6-dimethyl-1H-1,3-benzimidazol-4-yl)methanesulfonamide
CID 1474155
N-[5,6-dimethyl-1-(2-methylbenzyl)-1H-1,3-benzimidazol-4-yl]methanesulfonamide
CID 1479115

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylbenzimidazol-5-yl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(1-benzylbenzimidazol-5-yl)-2,4,6-trimethylbenzenesulfonamide (CID 44567335) is N-(1-benzylbenzimidazol-5-yl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(1-benzylbenzimidazol-5-yl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(1-benzylbenzimidazol-5-yl)-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)ncn3Cc2ccccc2)c(C)c1.
What is the InChIKey of N-(1-benzylbenzimidazol-5-yl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is NZGPNMYYBHSCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-16-11-17(2)23(18(3)12-16)29(27,28)25-20-9-10-22-21(13-20)24-15-26(22)14-19-7-5-4-6-8-19/h4-13,15,25H,14H2,1-3H3.
What are the key properties of N-(1-benzylbenzimidazol-5-yl)-2,4,6-trimethylbenzenesulfonamide?
N-(1-benzylbenzimidazol-5-yl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 405.52 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylbenzimidazol-5-yl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 44567335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).