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

C12H17N3O2S — CID 110779354

IUPACN-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanesulfonamide
SMILESCC(C)c1nc2cc(NS(C)(=O)=O)ccc2n1C
InChIInChI=1S/C12H17N3O2S/c1-8(2)12-13-10-7-9(14-18(4,16)17)5-6-11(10)15(12)3/h5-8,14H,1-4H3
InChIKeyIOUUVLSSSMTRTN-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.07
Rot. Bonds3

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

N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanesulfonamide (PubChem CID 110779354) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanesulfonamide
PubChem CID110779354
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanesulfonamide
SMILESCC(C)c1nc2cc(NS(C)(=O)=O)ccc2n1C
InChIInChI=1S/C12H17N3O2S/c1-8(2)12-13-10-7-9(14-18(4,16)17)5-6-11(10)15(12)3/h5-8,14H,1-4H3
InChIKeyIOUUVLSSSMTRTN-UHFFFAOYSA-N
XLogP2.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1,2-oxazole-4-sulfonamide
CID 110779365
N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)pyridine-2-carboxamide
CID 110793268
N-(1-propan-2-ylbenzimidazol-5-yl)methanesulfonamide
CID 110779145
N-(4-acetylphenyl)-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide
CID 110765986
1-[5-(benzylsulfamoylamino)-1-methylbenzimidazol-2-yl]ethanol
CID 56915753
1-cyclopentyl-3-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)urea
CID 110774752
1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanamine
CID 82493456
N-(2-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl)methanesulfonamide
CID 50750495
2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone
CID 82497951
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid
CID 82142022
N-(1-propan-2-yl-2-pyridin-3-ylbenzimidazol-5-yl)methanesulfonamide
CID 121448048
N-[1-(1-methyl-5-methylsulfonylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 81456037

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanesulfonamide?
The IUPAC name of N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanesulfonamide (CID 110779354) is N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanesulfonamide.
What is the SMILES notation for N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanesulfonamide?
The canonical SMILES for N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanesulfonamide is CC(C)c1nc2cc(NS(C)(=O)=O)ccc2n1C.
What is the InChIKey of N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanesulfonamide?
The InChIKey is IOUUVLSSSMTRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-8(2)12-13-10-7-9(14-18(4,16)17)5-6-11(10)15(12)3/h5-8,14H,1-4H3.
What are the key properties of N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanesulfonamide?
N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanesulfonamide has a molecular weight of 267.35 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanesulfonamide is sourced from PubChem (CID 110779354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).