2',6'-dimethylspiro[benzimidazole-2,1'-cyclohexane]

C14H18N2 — CID 20537687

IUPAC2',6'-dimethylspiro[benzimidazole-2,1'-cyclohexane]
SMILESCC1CCCC(C)C12N=c1ccccc1=N2
InChIInChI=1S/C14H18N2/c1-10-6-5-7-11(2)14(10)15-12-8-3-4-9-13(12)16-14/h3-4,8-11H,5-7H2,1-2H3
InChIKeyXYCKMTQJMOBGFK-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.09
Rot. Bonds

About 2',6'-dimethylspiro[benzimidazole-2,1'-cyclohexane]

2',6'-dimethylspiro[benzimidazole-2,1'-cyclohexane] (PubChem CID 20537687) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2',6'-dimethylspiro[benzimidazole-2,1'-cyclohexane].

Molecular Properties

Compound Name2',6'-dimethylspiro[benzimidazole-2,1'-cyclohexane]
PubChem CID20537687
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2',6'-dimethylspiro[benzimidazole-2,1'-cyclohexane]
SMILESCC1CCCC(C)C12N=c1ccccc1=N2
InChIInChI=1S/C14H18N2/c1-10-6-5-7-11(2)14(10)15-12-8-3-4-9-13(12)16-14/h3-4,8-11H,5-7H2,1-2H3
InChIKeyXYCKMTQJMOBGFK-UHFFFAOYSA-N
XLogP2.09
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2',6'-dimethylspiro[benzimidazole-2,1'-cyclohexane]?
The IUPAC name of 2',6'-dimethylspiro[benzimidazole-2,1'-cyclohexane] (CID 20537687) is 2',6'-dimethylspiro[benzimidazole-2,1'-cyclohexane].
What is the SMILES notation for 2',6'-dimethylspiro[benzimidazole-2,1'-cyclohexane]?
The canonical SMILES for 2',6'-dimethylspiro[benzimidazole-2,1'-cyclohexane] is CC1CCCC(C)C12N=c1ccccc1=N2.
What is the InChIKey of 2',6'-dimethylspiro[benzimidazole-2,1'-cyclohexane]?
The InChIKey is XYCKMTQJMOBGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10-6-5-7-11(2)14(10)15-12-8-3-4-9-13(12)16-14/h3-4,8-11H,5-7H2,1-2H3.
What are the key properties of 2',6'-dimethylspiro[benzimidazole-2,1'-cyclohexane]?
2',6'-dimethylspiro[benzimidazole-2,1'-cyclohexane] has a molecular weight of 214.31 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2',6'-dimethylspiro[benzimidazole-2,1'-cyclohexane] is sourced from PubChem (CID 20537687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).