6-ethenyl-5-methyl-5,6,6a,7-tetrahydrobenzimidazolo[1,2-a]quinoline

C18H18N2 — CID 138482559

IUPAC6-ethenyl-5-methyl-5,6,6a,7-tetrahydrobenzimidazolo[1,2-a]quinoline
SMILESC=CC1C(C)c2ccccc2N2c3ccccc3NC12
InChIInChI=1S/C18H18N2/c1-3-13-12(2)14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19-18(13)20/h3-13,18-19H,1H2,2H3
InChIKeyCTPWPQAFMOQIJB-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.50
Rot. Bonds1

About 6-ethenyl-5-methyl-5,6,6a,7-tetrahydrobenzimidazolo[1,2-a]quinoline

6-ethenyl-5-methyl-5,6,6a,7-tetrahydrobenzimidazolo[1,2-a]quinoline (PubChem CID 138482559) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 6-ethenyl-5-methyl-5,6,6a,7-tetrahydrobenzimidazolo[1,2-a]quinoline.

Molecular Properties

Compound Name6-ethenyl-5-methyl-5,6,6a,7-tetrahydrobenzimidazolo[1,2-a]quinoline
PubChem CID138482559
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name6-ethenyl-5-methyl-5,6,6a,7-tetrahydrobenzimidazolo[1,2-a]quinoline
SMILESC=CC1C(C)c2ccccc2N2c3ccccc3NC12
InChIInChI=1S/C18H18N2/c1-3-13-12(2)14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19-18(13)20/h3-13,18-19H,1H2,2H3
InChIKeyCTPWPQAFMOQIJB-UHFFFAOYSA-N
XLogP4.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-5-methyl-5,6,6a,7-tetrahydrobenzimidazolo[1,2-a]quinoline?
The IUPAC name of 6-ethenyl-5-methyl-5,6,6a,7-tetrahydrobenzimidazolo[1,2-a]quinoline (CID 138482559) is 6-ethenyl-5-methyl-5,6,6a,7-tetrahydrobenzimidazolo[1,2-a]quinoline.
What is the SMILES notation for 6-ethenyl-5-methyl-5,6,6a,7-tetrahydrobenzimidazolo[1,2-a]quinoline?
The canonical SMILES for 6-ethenyl-5-methyl-5,6,6a,7-tetrahydrobenzimidazolo[1,2-a]quinoline is C=CC1C(C)c2ccccc2N2c3ccccc3NC12.
What is the InChIKey of 6-ethenyl-5-methyl-5,6,6a,7-tetrahydrobenzimidazolo[1,2-a]quinoline?
The InChIKey is CTPWPQAFMOQIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-3-13-12(2)14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19-18(13)20/h3-13,18-19H,1H2,2H3.
What are the key properties of 6-ethenyl-5-methyl-5,6,6a,7-tetrahydrobenzimidazolo[1,2-a]quinoline?
6-ethenyl-5-methyl-5,6,6a,7-tetrahydrobenzimidazolo[1,2-a]quinoline has a molecular weight of 262.36 g/mol, XLogP of 4.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-5-methyl-5,6,6a,7-tetrahydrobenzimidazolo[1,2-a]quinoline is sourced from PubChem (CID 138482559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).