5-ethenylspiro[benzimidazole-2,1'-cyclohexane]

C14H16N2 — CID 20537806

IUPAC5-ethenylspiro[benzimidazole-2,1'-cyclohexane]
SMILESC=Cc1ccc2c(c1)=NC1(CCCCC1)N=2
InChIInChI=1S/C14H16N2/c1-2-11-6-7-12-13(10-11)16-14(15-12)8-4-3-5-9-14/h2,6-7,10H,1,3-5,8-9H2
InChIKeyUXYAAABUWKPRIN-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.24
Rot. Bonds1

About 5-ethenylspiro[benzimidazole-2,1'-cyclohexane]

5-ethenylspiro[benzimidazole-2,1'-cyclohexane] (PubChem CID 20537806) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 5-ethenylspiro[benzimidazole-2,1'-cyclohexane].

Molecular Properties

Compound Name5-ethenylspiro[benzimidazole-2,1'-cyclohexane]
PubChem CID20537806
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name5-ethenylspiro[benzimidazole-2,1'-cyclohexane]
SMILESC=Cc1ccc2c(c1)=NC1(CCCCC1)N=2
InChIInChI=1S/C14H16N2/c1-2-11-6-7-12-13(10-11)16-14(15-12)8-4-3-5-9-14/h2,6-7,10H,1,3-5,8-9H2
InChIKeyUXYAAABUWKPRIN-UHFFFAOYSA-N
XLogP2.24
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenylspiro[benzimidazole-2,1'-cyclohexane]?
The IUPAC name of 5-ethenylspiro[benzimidazole-2,1'-cyclohexane] (CID 20537806) is 5-ethenylspiro[benzimidazole-2,1'-cyclohexane].
What is the SMILES notation for 5-ethenylspiro[benzimidazole-2,1'-cyclohexane]?
The canonical SMILES for 5-ethenylspiro[benzimidazole-2,1'-cyclohexane] is C=Cc1ccc2c(c1)=NC1(CCCCC1)N=2.
What is the InChIKey of 5-ethenylspiro[benzimidazole-2,1'-cyclohexane]?
The InChIKey is UXYAAABUWKPRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-11-6-7-12-13(10-11)16-14(15-12)8-4-3-5-9-14/h2,6-7,10H,1,3-5,8-9H2.
What are the key properties of 5-ethenylspiro[benzimidazole-2,1'-cyclohexane]?
5-ethenylspiro[benzimidazole-2,1'-cyclohexane] has a molecular weight of 212.30 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenylspiro[benzimidazole-2,1'-cyclohexane] is sourced from PubChem (CID 20537806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).