6-(6-methylsulfonyl-1H-benzimidazol-2-yl)heptan-2-amine

C15H23N3O2S — CID 65285595

IUPAC6-(6-methylsulfonyl-1H-benzimidazol-2-yl)heptan-2-amine
SMILESCC(N)CCCC(C)c1nc2ccc(S(C)(=O)=O)cc2[nH]1
InChIInChI=1S/C15H23N3O2S/c1-10(5-4-6-11(2)16)15-17-13-8-7-12(21(3,19)20)9-14(13)18-15/h7-11H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyADQRKNZCBFOFCQ-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.59
Rot. Bonds6

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

6-(6-methylsulfonyl-1H-benzimidazol-2-yl)heptan-2-amine (PubChem CID 65285595) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 6-(6-methylsulfonyl-1H-benzimidazol-2-yl)heptan-2-amine.

Molecular Properties

Compound Name6-(6-methylsulfonyl-1H-benzimidazol-2-yl)heptan-2-amine
PubChem CID65285595
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name6-(6-methylsulfonyl-1H-benzimidazol-2-yl)heptan-2-amine
SMILESCC(N)CCCC(C)c1nc2ccc(S(C)(=O)=O)cc2[nH]1
InChIInChI=1S/C15H23N3O2S/c1-10(5-4-6-11(2)16)15-17-13-8-7-12(21(3,19)20)9-14(13)18-15/h7-11H,4-6,16H2,1-3H3,(H,17,18)
InChIKeyADQRKNZCBFOFCQ-UHFFFAOYSA-N
XLogP2.59
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methylsulfonyl-1H-benzimidazol-2-yl)heptan-2-amine?
The IUPAC name of 6-(6-methylsulfonyl-1H-benzimidazol-2-yl)heptan-2-amine (CID 65285595) is 6-(6-methylsulfonyl-1H-benzimidazol-2-yl)heptan-2-amine.
What is the SMILES notation for 6-(6-methylsulfonyl-1H-benzimidazol-2-yl)heptan-2-amine?
The canonical SMILES for 6-(6-methylsulfonyl-1H-benzimidazol-2-yl)heptan-2-amine is CC(N)CCCC(C)c1nc2ccc(S(C)(=O)=O)cc2[nH]1.
What is the InChIKey of 6-(6-methylsulfonyl-1H-benzimidazol-2-yl)heptan-2-amine?
The InChIKey is ADQRKNZCBFOFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-10(5-4-6-11(2)16)15-17-13-8-7-12(21(3,19)20)9-14(13)18-15/h7-11H,4-6,16H2,1-3H3,(H,17,18).
What are the key properties of 6-(6-methylsulfonyl-1H-benzimidazol-2-yl)heptan-2-amine?
6-(6-methylsulfonyl-1H-benzimidazol-2-yl)heptan-2-amine has a molecular weight of 309.44 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methylsulfonyl-1H-benzimidazol-2-yl)heptan-2-amine is sourced from PubChem (CID 65285595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).