5,6-dimethylspiro[benzimidazole-2,1'-cyclohexane]

C14H18N2 — CID 20537712

IUPAC5,6-dimethylspiro[benzimidazole-2,1'-cyclohexane]
SMILESCc1cc2c(cc1C)=NC1(CCCCC1)N=2
InChIInChI=1S/C14H18N2/c1-10-8-12-13(9-11(10)2)16-14(15-12)6-4-3-5-7-14/h8-9H,3-7H2,1-2H3
InChIKeyOAYHIUMBIOXOOL-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.22
Rot. Bonds

About 5,6-dimethylspiro[benzimidazole-2,1'-cyclohexane]

5,6-dimethylspiro[benzimidazole-2,1'-cyclohexane] (PubChem CID 20537712) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 5,6-dimethylspiro[benzimidazole-2,1'-cyclohexane].

Molecular Properties

Compound Name5,6-dimethylspiro[benzimidazole-2,1'-cyclohexane]
PubChem CID20537712
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name5,6-dimethylspiro[benzimidazole-2,1'-cyclohexane]
SMILESCc1cc2c(cc1C)=NC1(CCCCC1)N=2
InChIInChI=1S/C14H18N2/c1-10-8-12-13(9-11(10)2)16-14(15-12)6-4-3-5-7-14/h8-9H,3-7H2,1-2H3
InChIKeyOAYHIUMBIOXOOL-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethylspiro[benzimidazole-2,1'-cyclohexane]?
The IUPAC name of 5,6-dimethylspiro[benzimidazole-2,1'-cyclohexane] (CID 20537712) is 5,6-dimethylspiro[benzimidazole-2,1'-cyclohexane].
What is the SMILES notation for 5,6-dimethylspiro[benzimidazole-2,1'-cyclohexane]?
The canonical SMILES for 5,6-dimethylspiro[benzimidazole-2,1'-cyclohexane] is Cc1cc2c(cc1C)=NC1(CCCCC1)N=2.
What is the InChIKey of 5,6-dimethylspiro[benzimidazole-2,1'-cyclohexane]?
The InChIKey is OAYHIUMBIOXOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10-8-12-13(9-11(10)2)16-14(15-12)6-4-3-5-7-14/h8-9H,3-7H2,1-2H3.
What are the key properties of 5,6-dimethylspiro[benzimidazole-2,1'-cyclohexane]?
5,6-dimethylspiro[benzimidazole-2,1'-cyclohexane] has a molecular weight of 214.31 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylspiro[benzimidazole-2,1'-cyclohexane] is sourced from PubChem (CID 20537712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).