2-ethenyl-4-ethylidene-3-methylpyrido[1,2-a]benzimidazol-1-one

C16H14N2O — CID 137095527

IUPAC2-ethenyl-4-ethylidene-3-methylpyrido[1,2-a]benzimidazol-1-one
SMILESC=Cc1c(C)c(=CC)c2nc3ccccc3n2c1=O
InChIInChI=1S/C16H14N2O/c1-4-11-10(3)12(5-2)16(19)18-14-9-7-6-8-13(14)17-15(11)18/h4-9H,2H2,1,3H3
InChIKeyJHEIQTXTMQIYRA-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.32
Rot. Bonds1

About 2-ethenyl-4-ethylidene-3-methylpyrido[1,2-a]benzimidazol-1-one

2-ethenyl-4-ethylidene-3-methylpyrido[1,2-a]benzimidazol-1-one (PubChem CID 137095527) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-ethenyl-4-ethylidene-3-methylpyrido[1,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name2-ethenyl-4-ethylidene-3-methylpyrido[1,2-a]benzimidazol-1-one
PubChem CID137095527
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name2-ethenyl-4-ethylidene-3-methylpyrido[1,2-a]benzimidazol-1-one
SMILESC=Cc1c(C)c(=CC)c2nc3ccccc3n2c1=O
InChIInChI=1S/C16H14N2O/c1-4-11-10(3)12(5-2)16(19)18-14-9-7-6-8-13(14)17-15(11)18/h4-9H,2H2,1,3H3
InChIKeyJHEIQTXTMQIYRA-UHFFFAOYSA-N
XLogP2.32
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4E)-2-ethenyl-4-ethylidene-3-methyl-8-nitropyrido[1,2-a]benzimidazol-1-one
CID 142597283
(5E)-5-ethylidene-4-(1-phenylethenyl)benzimidazolo[2,1-a]isoquinolin-6-one
CID 134300437
8-ethenyl-9-[(Z)-prop-1-enyl]-7,10,21,28-tetrazadecacyclo[17.13.2.22,5.03,15.04,12.06,10.016,33.020,28.022,27.030,34]hexatriaconta-1(32),2,4,6,8,12,14,16(33),17,19(34),20,22,24,26,30,35-hexadecaene-11,29-dione
CID 143070962
19-methyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12,14,16(20),17-nonaen-11-one
CID 21125027
ethane;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione
CID 90702606
methane;propane;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2,4,6,8,10,12,16,18,20(37),21,23(38),24,26,28,30,34,39-octadecaene-15,33-dione;7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.025,33.026,31.034,38]tetraconta-1(37),2,4,6,8,10,12,16,18,20,22,26,28,30,32,34(38),35,39-octadecaene-15,24-dione
CID 157101386
13,14,27,28-tetraoctyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,16,18,20,22,26(30),27-tridecaene-11,25-dione
CID 102494132
3-ethenyl-1-methylquinoxalin-2-one
CID 174761373
(2E)-2-[(4-hydroxyanilino)methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
CID 171979540
17,18,21,22,35,36,39,40-octabromo-7,14,25,32-tetrazaundecacyclo[21.13.2.22,5.03,19.04,16.06,14.08,13.020,37.024,32.026,31.034,38]tetraconta-1(36),2(40),3,5(39),6,8,10,12,16,18,20,22,24,26,28,30,34,37-octadecaene-15,33-dione
CID 89222298
2-[5-cyano-3-[(E)-(4-cyano-3-methyl-1-oxopyrido[1,2-a]benzimidazol-2-ylidene)methyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethyl acetate
CID 135572000
(2E)-2-[(3-methoxyanilino)methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
CID 22695945

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-ethylidene-3-methylpyrido[1,2-a]benzimidazol-1-one?
The IUPAC name of 2-ethenyl-4-ethylidene-3-methylpyrido[1,2-a]benzimidazol-1-one (CID 137095527) is 2-ethenyl-4-ethylidene-3-methylpyrido[1,2-a]benzimidazol-1-one.
What is the SMILES notation for 2-ethenyl-4-ethylidene-3-methylpyrido[1,2-a]benzimidazol-1-one?
The canonical SMILES for 2-ethenyl-4-ethylidene-3-methylpyrido[1,2-a]benzimidazol-1-one is C=Cc1c(C)c(=CC)c2nc3ccccc3n2c1=O.
What is the InChIKey of 2-ethenyl-4-ethylidene-3-methylpyrido[1,2-a]benzimidazol-1-one?
The InChIKey is JHEIQTXTMQIYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-4-11-10(3)12(5-2)16(19)18-14-9-7-6-8-13(14)17-15(11)18/h4-9H,2H2,1,3H3.
What are the key properties of 2-ethenyl-4-ethylidene-3-methylpyrido[1,2-a]benzimidazol-1-one?
2-ethenyl-4-ethylidene-3-methylpyrido[1,2-a]benzimidazol-1-one has a molecular weight of 250.30 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-ethylidene-3-methylpyrido[1,2-a]benzimidazol-1-one is sourced from PubChem (CID 137095527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).