N-(1-benzyl-5,6-dimethylbenzimidazol-4-yl)methanesulfonamide

C17H19N3O2S — CID 1474155

IUPACN-(1-benzyl-5,6-dimethylbenzimidazol-4-yl)methanesulfonamide
SMILESCc1cc2c(ncn2Cc2ccccc2)c(NS(C)(=O)=O)c1C
InChIInChI=1S/C17H19N3O2S/c1-12-9-15-17(16(13(12)2)19-23(3,21)22)18-11-20(15)10-14-7-5-4-6-8-14/h4-9,11,19H,10H2,1-3H3
InChIKeyRHYYIIBUXGVRNI-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.07
Rot. Bonds4

About N-(1-benzyl-5,6-dimethylbenzimidazol-4-yl)methanesulfonamide

N-(1-benzyl-5,6-dimethylbenzimidazol-4-yl)methanesulfonamide (PubChem CID 1474155) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(1-benzyl-5,6-dimethylbenzimidazol-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-benzyl-5,6-dimethylbenzimidazol-4-yl)methanesulfonamide
PubChem CID1474155
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-(1-benzyl-5,6-dimethylbenzimidazol-4-yl)methanesulfonamide
SMILESCc1cc2c(ncn2Cc2ccccc2)c(NS(C)(=O)=O)c1C
InChIInChI=1S/C17H19N3O2S/c1-12-9-15-17(16(13(12)2)19-23(3,21)22)18-11-20(15)10-14-7-5-4-6-8-14/h4-9,11,19H,10H2,1-3H3
InChIKeyRHYYIIBUXGVRNI-UHFFFAOYSA-N
XLogP3.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-5,6-dimethylbenzimidazol-4-yl)methanesulfonamide?
The IUPAC name of N-(1-benzyl-5,6-dimethylbenzimidazol-4-yl)methanesulfonamide (CID 1474155) is N-(1-benzyl-5,6-dimethylbenzimidazol-4-yl)methanesulfonamide.
What is the SMILES notation for N-(1-benzyl-5,6-dimethylbenzimidazol-4-yl)methanesulfonamide?
The canonical SMILES for N-(1-benzyl-5,6-dimethylbenzimidazol-4-yl)methanesulfonamide is Cc1cc2c(ncn2Cc2ccccc2)c(NS(C)(=O)=O)c1C.
What is the InChIKey of N-(1-benzyl-5,6-dimethylbenzimidazol-4-yl)methanesulfonamide?
The InChIKey is RHYYIIBUXGVRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-12-9-15-17(16(13(12)2)19-23(3,21)22)18-11-20(15)10-14-7-5-4-6-8-14/h4-9,11,19H,10H2,1-3H3.
What are the key properties of N-(1-benzyl-5,6-dimethylbenzimidazol-4-yl)methanesulfonamide?
N-(1-benzyl-5,6-dimethylbenzimidazol-4-yl)methanesulfonamide has a molecular weight of 329.43 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-5,6-dimethylbenzimidazol-4-yl)methanesulfonamide is sourced from PubChem (CID 1474155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).