3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentan-1-amine

C13H17N3O2S — CID 66032188

IUPAC3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentan-1-amine
SMILESCS(=O)(=O)c1ccc2nc(C3CCC(N)C3)[nH]c2c1
InChIInChI=1S/C13H17N3O2S/c1-19(17,18)10-4-5-11-12(7-10)16-13(15-11)8-2-3-9(14)6-8/h4-5,7-9H,2-3,6,14H2,1H3,(H,15,16)
InChIKeyQGFJSJSWNGCTLP-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.56
Rot. Bonds2

About 3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentan-1-amine

3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentan-1-amine (PubChem CID 66032188) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentan-1-amine
PubChem CID66032188
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentan-1-amine
SMILESCS(=O)(=O)c1ccc2nc(C3CCC(N)C3)[nH]c2c1
InChIInChI=1S/C13H17N3O2S/c1-19(17,18)10-4-5-11-12(7-10)16-13(15-11)8-2-3-9(14)6-8/h4-5,7-9H,2-3,6,14H2,1H3,(H,15,16)
InChIKeyQGFJSJSWNGCTLP-UHFFFAOYSA-N
XLogP1.56
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentan-1-amine?
The IUPAC name of 3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentan-1-amine (CID 66032188) is 3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentan-1-amine.
What is the SMILES notation for 3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentan-1-amine?
The canonical SMILES for 3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentan-1-amine is CS(=O)(=O)c1ccc2nc(C3CCC(N)C3)[nH]c2c1.
What is the InChIKey of 3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentan-1-amine?
The InChIKey is QGFJSJSWNGCTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-19(17,18)10-4-5-11-12(7-10)16-13(15-11)8-2-3-9(14)6-8/h4-5,7-9H,2-3,6,14H2,1H3,(H,15,16).
What are the key properties of 3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentan-1-amine?
3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentan-1-amine has a molecular weight of 279.37 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 66032188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).