5-ethenyl-6-methyl-7-(2-methylphenyl)-6,6a-dihydro-5H-benzimidazolo[1,2-a]quinoline

C25H24N2 — CID 134492200

IUPAC5-ethenyl-6-methyl-7-(2-methylphenyl)-6,6a-dihydro-5H-benzimidazolo[1,2-a]quinoline
SMILESC=CC1c2ccccc2N2c3ccccc3N(c3ccccc3C)C2C1C
InChIInChI=1S/C25H24N2/c1-4-19-18(3)25-26(21-13-7-5-11-17(21)2)23-15-9-10-16-24(23)27(25)22-14-8-6-12-20(19)22/h4-16,18-19,25H,1H2,2-3H3
InChIKeyUVQPAHYGZGAXHW-UHFFFAOYSA-N
MW352.48 g/mol
LogP6.53
Rot. Bonds2

About 5-ethenyl-6-methyl-7-(2-methylphenyl)-6,6a-dihydro-5H-benzimidazolo[1,2-a]quinoline

5-ethenyl-6-methyl-7-(2-methylphenyl)-6,6a-dihydro-5H-benzimidazolo[1,2-a]quinoline (PubChem CID 134492200) has the molecular formula C25H24N2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 5-ethenyl-6-methyl-7-(2-methylphenyl)-6,6a-dihydro-5H-benzimidazolo[1,2-a]quinoline.

Molecular Properties

Compound Name5-ethenyl-6-methyl-7-(2-methylphenyl)-6,6a-dihydro-5H-benzimidazolo[1,2-a]quinoline
PubChem CID134492200
Molecular FormulaC25H24N2
Molecular Weight352.48 g/mol
Exact Mass352.19
IUPAC Name5-ethenyl-6-methyl-7-(2-methylphenyl)-6,6a-dihydro-5H-benzimidazolo[1,2-a]quinoline
SMILESC=CC1c2ccccc2N2c3ccccc3N(c3ccccc3C)C2C1C
InChIInChI=1S/C25H24N2/c1-4-19-18(3)25-26(21-13-7-5-11-17(21)2)23-15-9-10-16-24(23)27(25)22-14-8-6-12-20(19)22/h4-16,18-19,25H,1H2,2-3H3
InChIKeyUVQPAHYGZGAXHW-UHFFFAOYSA-N
XLogP6.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-ethenyl-6-methyl-7-(2-methylphenyl)-6,6a-dihydro-5H-benzimidazolo[1,2-a]quinoline with MolForge

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Related Compounds

GNF-Pf-4385
CID 759333
1-Ethyl-2,3-dimethyl-2-phenylbenzimidazole
CID 3124417
Benzimidazolone scaffold, 8b
CID 42618254
Benzimidazolone scaffold, 8e
CID 42618257
Benzimidazolone scaffold, 8f
CID 42618258
N-methyl-2-(2-oxo-6-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-phenylacetamide
CID 71524635
N-benzyl-N-methyl-2-(2-oxo-6-phenyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide
CID 71524637
(10R)-10-(dipropylamino)-3-propyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 127047229
1,2,3-Trimethyl-2-phenyl-2,3-dihydro-1H-benzoimidazole
CID 799470
5-Dipropylamino-1-methyl-5,6-dihydro-1H,4H-imidazo[4,5,1-ij]quinolin-2-one
CID 15744955
(3aS,9bS)-3a-methyl-5-phenyl-2,3,4,9b-tetrahydro-1H-pyrrolo[2,3-c]quinoline
CID 153287553
(3aS,9bS)-3,3a-dimethyl-5-phenyl-1,2,4,9b-tetrahydropyrrolo[2,3-c]quinoline
CID 153287566

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-6-methyl-7-(2-methylphenyl)-6,6a-dihydro-5H-benzimidazolo[1,2-a]quinoline?
The IUPAC name of 5-ethenyl-6-methyl-7-(2-methylphenyl)-6,6a-dihydro-5H-benzimidazolo[1,2-a]quinoline (CID 134492200) is 5-ethenyl-6-methyl-7-(2-methylphenyl)-6,6a-dihydro-5H-benzimidazolo[1,2-a]quinoline.
What is the SMILES notation for 5-ethenyl-6-methyl-7-(2-methylphenyl)-6,6a-dihydro-5H-benzimidazolo[1,2-a]quinoline?
The canonical SMILES for 5-ethenyl-6-methyl-7-(2-methylphenyl)-6,6a-dihydro-5H-benzimidazolo[1,2-a]quinoline is C=CC1c2ccccc2N2c3ccccc3N(c3ccccc3C)C2C1C.
What is the InChIKey of 5-ethenyl-6-methyl-7-(2-methylphenyl)-6,6a-dihydro-5H-benzimidazolo[1,2-a]quinoline?
The InChIKey is UVQPAHYGZGAXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2/c1-4-19-18(3)25-26(21-13-7-5-11-17(21)2)23-15-9-10-16-24(23)27(25)22-14-8-6-12-20(19)22/h4-16,18-19,25H,1H2,2-3H3.
What are the key properties of 5-ethenyl-6-methyl-7-(2-methylphenyl)-6,6a-dihydro-5H-benzimidazolo[1,2-a]quinoline?
5-ethenyl-6-methyl-7-(2-methylphenyl)-6,6a-dihydro-5H-benzimidazolo[1,2-a]quinoline has a molecular weight of 352.48 g/mol, XLogP of 6.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-6-methyl-7-(2-methylphenyl)-6,6a-dihydro-5H-benzimidazolo[1,2-a]quinoline is sourced from PubChem (CID 134492200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).