7-methyl-1-(2-methylsulfonylethyl)benzimidazol-2-amine

C11H15N3O2S — CID 115552322

IUPAC7-methyl-1-(2-methylsulfonylethyl)benzimidazol-2-amine
SMILESCc1cccc2nc(N)n(CCS(C)(=O)=O)c12
InChIInChI=1S/C11H15N3O2S/c1-8-4-3-5-9-10(8)14(11(12)13-9)6-7-17(2,15)16/h3-5H,6-7H2,1-2H3,(H2,12,13)
InChIKeyMQPTZTTXVUMLPL-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.97
Rot. Bonds3

About 7-methyl-1-(2-methylsulfonylethyl)benzimidazol-2-amine

7-methyl-1-(2-methylsulfonylethyl)benzimidazol-2-amine (PubChem CID 115552322) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 7-methyl-1-(2-methylsulfonylethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name7-methyl-1-(2-methylsulfonylethyl)benzimidazol-2-amine
PubChem CID115552322
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name7-methyl-1-(2-methylsulfonylethyl)benzimidazol-2-amine
SMILESCc1cccc2nc(N)n(CCS(C)(=O)=O)c12
InChIInChI=1S/C11H15N3O2S/c1-8-4-3-5-9-10(8)14(11(12)13-9)6-7-17(2,15)16/h3-5H,6-7H2,1-2H3,(H2,12,13)
InChIKeyMQPTZTTXVUMLPL-UHFFFAOYSA-N
XLogP0.97
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methyl-1-(3-methylsulfonylpropyl)benzimidazol-2-amine
CID 115552409
1-[2-(dimethylamino)ethyl]-7-methylbenzimidazol-2-amine
CID 115552143
2-(2-amino-7-methylbenzimidazol-1-yl)ethyl carbamate
CID 83204061
1-(3-methoxypropyl)-7-methylbenzimidazol-2-amine
CID 115552278
1-[2-(3,5-difluorophenyl)ethyl]-7-methylbenzimidazol-2-amine
CID 115552468
7-methyl-1-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine
CID 115552599
1-(3-cyclopentylpropyl)-7-methylbenzimidazol-2-amine
CID 106008021
1,7-dimethylbenzimidazol-2-amine;ethane
CID 170767427
1-[(3-ethylthiophen-2-yl)methyl]-7-methylbenzimidazol-2-amine
CID 115552600
4-fluoro-1-(2-methylsulfonylethyl)benzimidazol-2-amine
CID 54934889
1-[(4-bromophenyl)methyl]-7-methylbenzimidazol-2-amine
CID 115552239
N-[2-(2-amino-7-chlorobenzimidazol-1-yl)ethyl]methanesulfonamide
CID 43662133

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(2-methylsulfonylethyl)benzimidazol-2-amine?
The IUPAC name of 7-methyl-1-(2-methylsulfonylethyl)benzimidazol-2-amine (CID 115552322) is 7-methyl-1-(2-methylsulfonylethyl)benzimidazol-2-amine.
What is the SMILES notation for 7-methyl-1-(2-methylsulfonylethyl)benzimidazol-2-amine?
The canonical SMILES for 7-methyl-1-(2-methylsulfonylethyl)benzimidazol-2-amine is Cc1cccc2nc(N)n(CCS(C)(=O)=O)c12.
What is the InChIKey of 7-methyl-1-(2-methylsulfonylethyl)benzimidazol-2-amine?
The InChIKey is MQPTZTTXVUMLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-8-4-3-5-9-10(8)14(11(12)13-9)6-7-17(2,15)16/h3-5H,6-7H2,1-2H3,(H2,12,13).
What are the key properties of 7-methyl-1-(2-methylsulfonylethyl)benzimidazol-2-amine?
7-methyl-1-(2-methylsulfonylethyl)benzimidazol-2-amine has a molecular weight of 253.33 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(2-methylsulfonylethyl)benzimidazol-2-amine is sourced from PubChem (CID 115552322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).