N-(1-propan-2-ylbenzimidazol-5-yl)methanesulfonamide

C11H15N3O2S — CID 110779145

IUPACN-(1-propan-2-ylbenzimidazol-5-yl)methanesulfonamide
SMILESCC(C)n1cnc2cc(NS(C)(=O)=O)ccc21
InChIInChI=1S/C11H15N3O2S/c1-8(2)14-7-12-10-6-9(4-5-11(10)14)13-17(3,15)16/h4-8,13H,1-3H3
InChIKeyMLPQPMVQRHSDJY-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.99
Rot. Bonds3

About N-(1-propan-2-ylbenzimidazol-5-yl)methanesulfonamide

N-(1-propan-2-ylbenzimidazol-5-yl)methanesulfonamide (PubChem CID 110779145) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-(1-propan-2-ylbenzimidazol-5-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-propan-2-ylbenzimidazol-5-yl)methanesulfonamide
PubChem CID110779145
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN-(1-propan-2-ylbenzimidazol-5-yl)methanesulfonamide
SMILESCC(C)n1cnc2cc(NS(C)(=O)=O)ccc21
InChIInChI=1S/C11H15N3O2S/c1-8(2)14-7-12-10-6-9(4-5-11(10)14)13-17(3,15)16/h4-8,13H,1-3H3
InChIKeyMLPQPMVQRHSDJY-UHFFFAOYSA-N
XLogP1.99
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-1H-1,3-benzodiazol-2-amine
CID 595193
Ethanesulfonamide, N-(1-((4,4-difluorocyclohexyl)methyl)-2-(1,1-dimethylethyl)-1H-benzimidazol-5-yl)-
CID 11675994
4-(1H-1,3-benzodiazol-1-yl)aniline
CID 5328453
1-ethyl-1H-1,3-benzodiazole
CID 485094
3-(1H-1,3-benzodiazol-1-yl)propan-1-amine
CID 3920849
5-Aminobenzimidazole hydrochloride
CID 459458
2-(1H-1,3-benzodiazol-1-yl)ethan-1-amine
CID 41504
1-phenyl-1H-1,3-benzodiazol-5-amine
CID 965312
1-propyl-1H-1,3-benzodiazol-2-amine
CID 799602
1-ethyl-1H-1,3-benzodiazole-2-sulfonic acid
CID 2772526
1-methyl-1H-1,3-benzodiazol-5-amine
CID 315499
N-[2-tert-butyl-1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-5-yl]methanesulfonamide
CID 57441073

Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylbenzimidazol-5-yl)methanesulfonamide?
The IUPAC name of N-(1-propan-2-ylbenzimidazol-5-yl)methanesulfonamide (CID 110779145) is N-(1-propan-2-ylbenzimidazol-5-yl)methanesulfonamide.
What is the SMILES notation for N-(1-propan-2-ylbenzimidazol-5-yl)methanesulfonamide?
The canonical SMILES for N-(1-propan-2-ylbenzimidazol-5-yl)methanesulfonamide is CC(C)n1cnc2cc(NS(C)(=O)=O)ccc21.
What is the InChIKey of N-(1-propan-2-ylbenzimidazol-5-yl)methanesulfonamide?
The InChIKey is MLPQPMVQRHSDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-8(2)14-7-12-10-6-9(4-5-11(10)14)13-17(3,15)16/h4-8,13H,1-3H3.
What are the key properties of N-(1-propan-2-ylbenzimidazol-5-yl)methanesulfonamide?
N-(1-propan-2-ylbenzimidazol-5-yl)methanesulfonamide has a molecular weight of 253.33 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylbenzimidazol-5-yl)methanesulfonamide is sourced from PubChem (CID 110779145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).