2-(4-methylsulfonyl-1H-benzimidazol-2-yl)cyclohexan-1-amine

C14H19N3O2S — CID 82008430

IUPAC2-(4-methylsulfonyl-1H-benzimidazol-2-yl)cyclohexan-1-amine
SMILESCS(=O)(=O)c1cccc2[nH]c(C3CCCCC3N)nc12
InChIInChI=1S/C14H19N3O2S/c1-20(18,19)12-8-4-7-11-13(12)17-14(16-11)9-5-2-3-6-10(9)15/h4,7-10H,2-3,5-6,15H2,1H3,(H,16,17)
InChIKeyXEYQLRQXHADJIK-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.95
Rot. Bonds2

About 2-(4-methylsulfonyl-1H-benzimidazol-2-yl)cyclohexan-1-amine

2-(4-methylsulfonyl-1H-benzimidazol-2-yl)cyclohexan-1-amine (PubChem CID 82008430) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-(4-methylsulfonyl-1H-benzimidazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-methylsulfonyl-1H-benzimidazol-2-yl)cyclohexan-1-amine
PubChem CID82008430
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-(4-methylsulfonyl-1H-benzimidazol-2-yl)cyclohexan-1-amine
SMILESCS(=O)(=O)c1cccc2[nH]c(C3CCCCC3N)nc12
InChIInChI=1S/C14H19N3O2S/c1-20(18,19)12-8-4-7-11-13(12)17-14(16-11)9-5-2-3-6-10(9)15/h4,7-10H,2-3,5-6,15H2,1H3,(H,16,17)
InChIKeyXEYQLRQXHADJIK-UHFFFAOYSA-N
XLogP1.95
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonyl-1H-benzimidazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 2-(4-methylsulfonyl-1H-benzimidazol-2-yl)cyclohexan-1-amine (CID 82008430) is 2-(4-methylsulfonyl-1H-benzimidazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-(4-methylsulfonyl-1H-benzimidazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 2-(4-methylsulfonyl-1H-benzimidazol-2-yl)cyclohexan-1-amine is CS(=O)(=O)c1cccc2[nH]c(C3CCCCC3N)nc12.
What is the InChIKey of 2-(4-methylsulfonyl-1H-benzimidazol-2-yl)cyclohexan-1-amine?
The InChIKey is XEYQLRQXHADJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-20(18,19)12-8-4-7-11-13(12)17-14(16-11)9-5-2-3-6-10(9)15/h4,7-10H,2-3,5-6,15H2,1H3,(H,16,17).
What are the key properties of 2-(4-methylsulfonyl-1H-benzimidazol-2-yl)cyclohexan-1-amine?
2-(4-methylsulfonyl-1H-benzimidazol-2-yl)cyclohexan-1-amine has a molecular weight of 293.39 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonyl-1H-benzimidazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 82008430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).