(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

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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).