1,2-bis(ethenyl)-5-ethyl-4,5-dimethyl-3-phenyl-3a,4-dihydroimidazo[1,2-a]quinoline

C25H28N2 — CID 144782344

IUPAC1,2-bis(ethenyl)-5-ethyl-4,5-dimethyl-3-phenyl-3a,4-dihydroimidazo[1,2-a]quinoline
SMILESC=CC1=C(C=C)N2c3ccccc3C(C)(CC)C(C)C2N1c1ccccc1
InChIInChI=1S/C25H28N2/c1-6-21-22(7-2)27-23-17-13-12-16-20(23)25(5,8-3)18(4)24(27)26(21)19-14-10-9-11-15-19/h6-7,9-18,24H,1-2,8H2,3-5H3
InChIKeyOPFQJGUJYLEREG-UHFFFAOYSA-N
MW356.51 g/mol
LogP6.24
Rot. Bonds4

About 1,2-bis(ethenyl)-5-ethyl-4,5-dimethyl-3-phenyl-3a,4-dihydroimidazo[1,2-a]quinoline

1,2-bis(ethenyl)-5-ethyl-4,5-dimethyl-3-phenyl-3a,4-dihydroimidazo[1,2-a]quinoline (PubChem CID 144782344) has the molecular formula C25H28N2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1,2-bis(ethenyl)-5-ethyl-4,5-dimethyl-3-phenyl-3a,4-dihydroimidazo[1,2-a]quinoline.

Molecular Properties

Compound Name1,2-bis(ethenyl)-5-ethyl-4,5-dimethyl-3-phenyl-3a,4-dihydroimidazo[1,2-a]quinoline
PubChem CID144782344
Molecular FormulaC25H28N2
Molecular Weight356.51 g/mol
Exact Mass356.23
IUPAC Name1,2-bis(ethenyl)-5-ethyl-4,5-dimethyl-3-phenyl-3a,4-dihydroimidazo[1,2-a]quinoline
SMILESC=CC1=C(C=C)N2c3ccccc3C(C)(CC)C(C)C2N1c1ccccc1
InChIInChI=1S/C25H28N2/c1-6-21-22(7-2)27-23-17-13-12-16-20(23)25(5,8-3)18(4)24(27)26(21)19-14-10-9-11-15-19/h6-7,9-18,24H,1-2,8H2,3-5H3
InChIKeyOPFQJGUJYLEREG-UHFFFAOYSA-N
XLogP6.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8,9-diethyl-8-methyl-11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
CID 123285328
14,15-diethyl-8,8,9-trimethyl-11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
CID 144714092
14,15-bis(2,2-dimethylpropyl)-8-ethenyl-8,9-dimethyl-11-phenyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
CID 138507432
5-ethenyl-N,4,5-trimethyl-2-(methylideneamino)-3-phenyl-N-propan-2-yl-3a,4-dihydroimidazo[1,2-a]quinolin-1-amine
CID 155034298
8-ethenyl-8,9-diethyl-9-methyl-11-phenyl-1,11,13-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaene
CID 123689717
8,9,9-trimethyl-11-phenyl-8-prop-2-enyl-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
CID 138605300
8,9-dimethyl-11-phenyl-8-(10-phenyl-10a,11-dihydroindolo[1,2-a]benzimidazol-11-yl)-1,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12,14,16-hexaene
CID 163954347
14-ethyl-16-methyl-12-phenyl-1,12-diazahexacyclo[11.9.0.02,11.04,9.014,16.017,22]docosa-2,4,6,8,10,17,19,21-octaene
CID 143249363
10,10-dimethyl-8-phenyl-1,3,6,8-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,11,13,15-hexaene
CID 144782319
(2R)-2-methyl-1-[2-[(2S)-2-methyl-3-phenyl-2H-benzimidazol-1-yl]ethyl]-3-phenyl-2H-benzimidazole
CID 118071267
2,3-bis(ethenyl)-4-phenyl-1,4-benzoxazine;ethane
CID 145383928
21-ethenyl-21,22-dimethyl-8-oxa-1,12,14-triazahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2,4,6,9(24),10,12,15,17,19-nonaene
CID 146261765

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)-5-ethyl-4,5-dimethyl-3-phenyl-3a,4-dihydroimidazo[1,2-a]quinoline?
The IUPAC name of 1,2-bis(ethenyl)-5-ethyl-4,5-dimethyl-3-phenyl-3a,4-dihydroimidazo[1,2-a]quinoline (CID 144782344) is 1,2-bis(ethenyl)-5-ethyl-4,5-dimethyl-3-phenyl-3a,4-dihydroimidazo[1,2-a]quinoline.
What is the SMILES notation for 1,2-bis(ethenyl)-5-ethyl-4,5-dimethyl-3-phenyl-3a,4-dihydroimidazo[1,2-a]quinoline?
The canonical SMILES for 1,2-bis(ethenyl)-5-ethyl-4,5-dimethyl-3-phenyl-3a,4-dihydroimidazo[1,2-a]quinoline is C=CC1=C(C=C)N2c3ccccc3C(C)(CC)C(C)C2N1c1ccccc1.
What is the InChIKey of 1,2-bis(ethenyl)-5-ethyl-4,5-dimethyl-3-phenyl-3a,4-dihydroimidazo[1,2-a]quinoline?
The InChIKey is OPFQJGUJYLEREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2/c1-6-21-22(7-2)27-23-17-13-12-16-20(23)25(5,8-3)18(4)24(27)26(21)19-14-10-9-11-15-19/h6-7,9-18,24H,1-2,8H2,3-5H3.
What are the key properties of 1,2-bis(ethenyl)-5-ethyl-4,5-dimethyl-3-phenyl-3a,4-dihydroimidazo[1,2-a]quinoline?
1,2-bis(ethenyl)-5-ethyl-4,5-dimethyl-3-phenyl-3a,4-dihydroimidazo[1,2-a]quinoline has a molecular weight of 356.51 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenyl)-5-ethyl-4,5-dimethyl-3-phenyl-3a,4-dihydroimidazo[1,2-a]quinoline is sourced from PubChem (CID 144782344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).