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

C10H13N3O2S — CID 110712040

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
SMILESCn1c(CNS(C)(=O)=O)nc2ccccc21
InChIInChI=1S/C10H13N3O2S/c1-13-9-6-4-3-5-8(9)12-10(13)7-11-16(2,14)15/h3-6,11H,7H2,1-2H3
InChIKeyCGRRGMDJNMYQPX-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.62
Rot. Bonds3

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

N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide (PubChem CID 110712040) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
PubChem CID110712040
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
SMILESCn1c(CNS(C)(=O)=O)nc2ccccc21
InChIInChI=1S/C10H13N3O2S/c1-13-9-6-4-3-5-8(9)12-10(13)7-11-16(2,14)15/h3-6,11H,7H2,1-2H3
InChIKeyCGRRGMDJNMYQPX-UHFFFAOYSA-N
XLogP0.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
CID 78809665
2,6-difluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
CID 78809672
4-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
CID 18197789
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonylpropan-1-amine
CID 79559017
1-(1-methylbenzimidazol-2-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724272
N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 78809678
N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688305
N-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 154747523
2-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 110712008
2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007407
bis(1-(1-methylbenzimidazol-2-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine);bis(nickel(2+));triacetate;perchlorate;pentahydrate
CID 139151681
3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 55689465

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide (CID 110712040) is N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide is Cn1c(CNS(C)(=O)=O)nc2ccccc21.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide?
The InChIKey is CGRRGMDJNMYQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-13-9-6-4-3-5-8(9)12-10(13)7-11-16(2,14)15/h3-6,11H,7H2,1-2H3.
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide?
N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide has a molecular weight of 239.30 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 110712040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).