N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide

C11H15N3O2S — CID 935474

IUPACN-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
SMILESCN(Cc1nc2ccccc2n1C)S(C)(=O)=O
InChIInChI=1S/C11H15N3O2S/c1-13(17(3,15)16)8-11-12-9-6-4-5-7-10(9)14(11)2/h4-7H,8H2,1-3H3
InChIKeyACGWBJKSUZHIHU-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.96
Rot. Bonds3

About N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide

N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide (PubChem CID 935474) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
PubChem CID935474
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
SMILESCN(Cc1nc2ccccc2n1C)S(C)(=O)=O
InChIInChI=1S/C11H15N3O2S/c1-13(17(3,15)16)8-11-12-9-6-4-5-7-10(9)14(11)2/h4-7H,8H2,1-3H3
InChIKeyACGWBJKSUZHIHU-UHFFFAOYSA-N
XLogP0.96
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 595193
CID 595193
CID 415665
CID 415665
CID 606669
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CID 97831
CID 97831
CID 135531459
CID 135531459
CID 74187
CID 74187
CID 146489
CID 146489
CID 344177
CID 344177
CID 485094
CID 485094
CID 3920849
CID 3920849
CID 799601
CID 799601
CID 639427
CID 639427

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide (CID 935474) is N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide is CN(Cc1nc2ccccc2n1C)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide?
The InChIKey is ACGWBJKSUZHIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-13(17(3,15)16)8-11-12-9-6-4-5-7-10(9)14(11)2/h4-7H,8H2,1-3H3.
What are the key properties of N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide?
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide has a molecular weight of 253.33 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 935474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).