(5E)-5-ethylidene-4-(1-phenylethenyl)benzimidazolo[2,1-a]isoquinolin-6-one

C25H18N2O — CID 134300437

IUPAC(5E)-5-ethylidene-4-(1-phenylethenyl)benzimidazolo[2,1-a]isoquinolin-6-one
SMILESC=C(c1ccccc1)c1cccc2c1/c(=C\C)c(=O)n1c3ccccc3nc21
InChIInChI=1S/C25H18N2O/c1-3-18-23-19(16(2)17-10-5-4-6-11-17)12-9-13-20(23)24-26-21-14-7-8-15-22(21)27(24)25(18)28/h3-15H,2H2,1H3/b18-3+
InChIKeyCDGDUWSJNXGHJW-JFQJCAQQSA-N
MW362.43 g/mol
LogP4.58
Rot. Bonds2

About (5E)-5-ethylidene-4-(1-phenylethenyl)benzimidazolo[2,1-a]isoquinolin-6-one

(5E)-5-ethylidene-4-(1-phenylethenyl)benzimidazolo[2,1-a]isoquinolin-6-one (PubChem CID 134300437) has the molecular formula C25H18N2O and a molecular weight of 362.43 g/mol. Its IUPAC name is (5E)-5-ethylidene-4-(1-phenylethenyl)benzimidazolo[2,1-a]isoquinolin-6-one.

Molecular Properties

Compound Name(5E)-5-ethylidene-4-(1-phenylethenyl)benzimidazolo[2,1-a]isoquinolin-6-one
PubChem CID134300437
Molecular FormulaC25H18N2O
Molecular Weight362.43 g/mol
Exact Mass362.14
IUPAC Name(5E)-5-ethylidene-4-(1-phenylethenyl)benzimidazolo[2,1-a]isoquinolin-6-one
SMILESC=C(c1ccccc1)c1cccc2c1/c(=C\C)c(=O)n1c3ccccc3nc21
InChIInChI=1S/C25H18N2O/c1-3-18-23-19(16(2)17-10-5-4-6-11-17)12-9-13-20(23)24-26-21-14-7-8-15-22(21)27(24)25(18)28/h3-15H,2H2,1H3/b18-3+
InChIKeyCDGDUWSJNXGHJW-JFQJCAQQSA-N
XLogP4.58
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5E)-5-ethylidene-4-(1-phenylethenyl)benzimidazolo[2,1-a]isoquinolin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carboxylic acid
CID 3467590
11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-17-carbaldehyde
CID 88895903
17-hydroxy-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one
CID 141341157
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
2-ethenyl-4-ethylidene-3-methylpyrido[1,2-a]benzimidazol-1-one
CID 137095527
15-amino-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one
CID 3512510
15-(methylamino)-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one
CID 4999170
17-methyl-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-15-carbonitrile
CID 121425929
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
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
14-prop-2-enoxy-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one
CID 59109524
8-(17-carboxy-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)naphthalene-1,4,5-tricarboxylic acid
CID 3103599

Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethylidene-4-(1-phenylethenyl)benzimidazolo[2,1-a]isoquinolin-6-one?
The IUPAC name of (5E)-5-ethylidene-4-(1-phenylethenyl)benzimidazolo[2,1-a]isoquinolin-6-one (CID 134300437) is (5E)-5-ethylidene-4-(1-phenylethenyl)benzimidazolo[2,1-a]isoquinolin-6-one.
What is the SMILES notation for (5E)-5-ethylidene-4-(1-phenylethenyl)benzimidazolo[2,1-a]isoquinolin-6-one?
The canonical SMILES for (5E)-5-ethylidene-4-(1-phenylethenyl)benzimidazolo[2,1-a]isoquinolin-6-one is C=C(c1ccccc1)c1cccc2c1/c(=C\C)c(=O)n1c3ccccc3nc21.
What is the InChIKey of (5E)-5-ethylidene-4-(1-phenylethenyl)benzimidazolo[2,1-a]isoquinolin-6-one?
The InChIKey is CDGDUWSJNXGHJW-JFQJCAQQSA-N. The full InChI is InChI=1S/C25H18N2O/c1-3-18-23-19(16(2)17-10-5-4-6-11-17)12-9-13-20(23)24-26-21-14-7-8-15-22(21)27(24)25(18)28/h3-15H,2H2,1H3/b18-3+.
What are the key properties of (5E)-5-ethylidene-4-(1-phenylethenyl)benzimidazolo[2,1-a]isoquinolin-6-one?
(5E)-5-ethylidene-4-(1-phenylethenyl)benzimidazolo[2,1-a]isoquinolin-6-one has a molecular weight of 362.43 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethylidene-4-(1-phenylethenyl)benzimidazolo[2,1-a]isoquinolin-6-one is sourced from PubChem (CID 134300437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).