7-methyl-1-(3-methylsulfonylpropyl)benzimidazol-2-amine

C12H17N3O2S — CID 115552409

IUPAC7-methyl-1-(3-methylsulfonylpropyl)benzimidazol-2-amine
SMILESCc1cccc2nc(N)n(CCCS(C)(=O)=O)c12
InChIInChI=1S/C12H17N3O2S/c1-9-5-3-6-10-11(9)15(12(13)14-10)7-4-8-18(2,16)17/h3,5-6H,4,7-8H2,1-2H3,(H2,13,14)
InChIKeyVKEVSZWRLIHWFH-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.36
Rot. Bonds4

About 7-methyl-1-(3-methylsulfonylpropyl)benzimidazol-2-amine

7-methyl-1-(3-methylsulfonylpropyl)benzimidazol-2-amine (PubChem CID 115552409) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is 7-methyl-1-(3-methylsulfonylpropyl)benzimidazol-2-amine.

Molecular Properties

Compound Name7-methyl-1-(3-methylsulfonylpropyl)benzimidazol-2-amine
PubChem CID115552409
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Name7-methyl-1-(3-methylsulfonylpropyl)benzimidazol-2-amine
SMILESCc1cccc2nc(N)n(CCCS(C)(=O)=O)c12
InChIInChI=1S/C12H17N3O2S/c1-9-5-3-6-10-11(9)15(12(13)14-10)7-4-8-18(2,16)17/h3,5-6H,4,7-8H2,1-2H3,(H2,13,14)
InChIKeyVKEVSZWRLIHWFH-UHFFFAOYSA-N
XLogP1.36
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methyl-1-(2-methylsulfonylethyl)benzimidazol-2-amine
CID 115552322
1-(3-methoxypropyl)-7-methylbenzimidazol-2-amine
CID 115552278
1-[2-(dimethylamino)ethyl]-7-methylbenzimidazol-2-amine
CID 115552143
1-(3-cyclopentylpropyl)-7-methylbenzimidazol-2-amine
CID 106008021
2-(2-amino-7-methylbenzimidazol-1-yl)ethyl carbamate
CID 83204061
1-(3-methylsulfonylpropyl)imidazo[4,5-c]pyridin-2-amine
CID 79296529
1-[(4-bromophenyl)methyl]-7-methylbenzimidazol-2-amine
CID 115552239
1-[2-(3,5-difluorophenyl)ethyl]-7-methylbenzimidazol-2-amine
CID 115552468
2-methyl-1-(3-methylsulfonylpropyl)benzimidazole
CID 79760730
7-methyl-1-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine
CID 115552599
1,7-dimethylbenzimidazol-2-amine;ethane
CID 170767427
1-[(3-ethylthiophen-2-yl)methyl]-7-methylbenzimidazol-2-amine
CID 115552600

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-(3-methylsulfonylpropyl)benzimidazol-2-amine?
The IUPAC name of 7-methyl-1-(3-methylsulfonylpropyl)benzimidazol-2-amine (CID 115552409) is 7-methyl-1-(3-methylsulfonylpropyl)benzimidazol-2-amine.
What is the SMILES notation for 7-methyl-1-(3-methylsulfonylpropyl)benzimidazol-2-amine?
The canonical SMILES for 7-methyl-1-(3-methylsulfonylpropyl)benzimidazol-2-amine is Cc1cccc2nc(N)n(CCCS(C)(=O)=O)c12.
What is the InChIKey of 7-methyl-1-(3-methylsulfonylpropyl)benzimidazol-2-amine?
The InChIKey is VKEVSZWRLIHWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-9-5-3-6-10-11(9)15(12(13)14-10)7-4-8-18(2,16)17/h3,5-6H,4,7-8H2,1-2H3,(H2,13,14).
What are the key properties of 7-methyl-1-(3-methylsulfonylpropyl)benzimidazol-2-amine?
7-methyl-1-(3-methylsulfonylpropyl)benzimidazol-2-amine has a molecular weight of 267.35 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(3-methylsulfonylpropyl)benzimidazol-2-amine is sourced from PubChem (CID 115552409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).