N-(1-benzylbenzimidazol-5-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide

C25H27N3O2S — CID 44567354

IUPACN-(1-benzylbenzimidazol-5-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)ncn3Cc2ccccc2)c(C)c1C
InChIInChI=1S/C25H27N3O2S/c1-16-17(2)19(4)25(20(5)18(16)3)31(29,30)27-22-11-12-24-23(13-22)26-15-28(24)14-21-9-7-6-8-10-21/h6-13,15,27H,14H2,1-5H3
InChIKeyIRGZMWLWLHSDHZ-UHFFFAOYSA-N
MW433.58 g/mol
LogP5.43
Rot. Bonds5

About N-(1-benzylbenzimidazol-5-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide

N-(1-benzylbenzimidazol-5-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide (PubChem CID 44567354) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is N-(1-benzylbenzimidazol-5-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzylbenzimidazol-5-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
PubChem CID44567354
Molecular FormulaC25H27N3O2S
Molecular Weight433.58 g/mol
Exact Mass433.18
IUPAC NameN-(1-benzylbenzimidazol-5-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)ncn3Cc2ccccc2)c(C)c1C
InChIInChI=1S/C25H27N3O2S/c1-16-17(2)19(4)25(20(5)18(16)3)31(29,30)27-22-11-12-24-23(13-22)26-15-28(24)14-21-9-7-6-8-10-21/h6-13,15,27H,14H2,1-5H3
InChIKeyIRGZMWLWLHSDHZ-UHFFFAOYSA-N
XLogP5.43
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.58
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-1H-benzo[d]imidazol-5-yl)-2,4,6-trimethylbenzenesulfonamide
CID 44567335
4-(5-Benzenesulfonylamino-1-methyl-1H-benzoimidazol-2-ylmethyl)-benzamidine
CID 446805
1-(Mesitylsulfonyl)-1H-benzimidazole
CID 576712
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-Naphthalen-2-ylsulfonylbenzimidazole
CID 647417
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
4-[1-Methyl-5-(naphthalene-1-sulfonylamino)-1H-benzoimidazol-2-ylmethyl]-benzamidine
CID 10885177
4-[5-(Isoquinoline-5-sulfonylamino)-1-methyl-1H-benzoimidazol-2-ylmethyl]-benzamidine
CID 10961694
1-(2,4-Dimethyl-benzenesulfonyl)-1H-benzoimidazole
CID 712653

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylbenzimidazol-5-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The IUPAC name of N-(1-benzylbenzimidazol-5-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide (CID 44567354) is N-(1-benzylbenzimidazol-5-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide.
What is the SMILES notation for N-(1-benzylbenzimidazol-5-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The canonical SMILES for N-(1-benzylbenzimidazol-5-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide is Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)ncn3Cc2ccccc2)c(C)c1C.
What is the InChIKey of N-(1-benzylbenzimidazol-5-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
The InChIKey is IRGZMWLWLHSDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2S/c1-16-17(2)19(4)25(20(5)18(16)3)31(29,30)27-22-11-12-24-23(13-22)26-15-28(24)14-21-9-7-6-8-10-21/h6-13,15,27H,14H2,1-5H3.
What are the key properties of N-(1-benzylbenzimidazol-5-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide?
N-(1-benzylbenzimidazol-5-yl)-2,3,4,5,6-pentamethylbenzenesulfonamide has a molecular weight of 433.58 g/mol, XLogP of 5.43, 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)-2,3,4,5,6-pentamethylbenzenesulfonamide is sourced from PubChem (CID 44567354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).