(5E,6Z)-3-ethenyl-5,6-di(ethylidene)-2-[(Z)-prop-1-enyl]imidazo[2,1-a]isoquinoline

C20H20N2 — CID 166644809

IUPAC(5E,6Z)-3-ethenyl-5,6-di(ethylidene)-2-[(Z)-prop-1-enyl]imidazo[2,1-a]isoquinoline
SMILESC=Cc1c(/C=C\C)nc2c3ccccc3c(=C/C)/c(=C\C)n12
InChIInChI=1S/C20H20N2/c1-5-11-17-19(8-4)22-18(7-3)14(6-2)15-12-9-10-13-16(15)20(22)21-17/h5-13H,4H2,1-3H3/b11-5-,14-6-,18-7+
InChIKeyYXMWQTBNBYAEHD-KXLIWHKTSA-N
MW288.39 g/mol
LogP3.76
Rot. Bonds2

About (5E,6Z)-3-ethenyl-5,6-di(ethylidene)-2-[(Z)-prop-1-enyl]imidazo[2,1-a]isoquinoline

(5E,6Z)-3-ethenyl-5,6-di(ethylidene)-2-[(Z)-prop-1-enyl]imidazo[2,1-a]isoquinoline (PubChem CID 166644809) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (5E,6Z)-3-ethenyl-5,6-di(ethylidene)-2-[(Z)-prop-1-enyl]imidazo[2,1-a]isoquinoline.

Molecular Properties

Compound Name(5E,6Z)-3-ethenyl-5,6-di(ethylidene)-2-[(Z)-prop-1-enyl]imidazo[2,1-a]isoquinoline
PubChem CID166644809
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name(5E,6Z)-3-ethenyl-5,6-di(ethylidene)-2-[(Z)-prop-1-enyl]imidazo[2,1-a]isoquinoline
SMILESC=Cc1c(/C=C\C)nc2c3ccccc3c(=C/C)/c(=C\C)n12
InChIInChI=1S/C20H20N2/c1-5-11-17-19(8-4)22-18(7-3)14(6-2)15-12-9-10-13-16(15)20(22)21-17/h5-13H,4H2,1-3H3/b11-5-,14-6-,18-7+
InChIKeyYXMWQTBNBYAEHD-KXLIWHKTSA-N
XLogP3.76
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E,6Z)-3-ethenyl-5,6-di(ethylidene)-2-[(Z)-prop-1-enyl]imidazo[2,1-a]isoquinoline?
The IUPAC name of (5E,6Z)-3-ethenyl-5,6-di(ethylidene)-2-[(Z)-prop-1-enyl]imidazo[2,1-a]isoquinoline (CID 166644809) is (5E,6Z)-3-ethenyl-5,6-di(ethylidene)-2-[(Z)-prop-1-enyl]imidazo[2,1-a]isoquinoline.
What is the SMILES notation for (5E,6Z)-3-ethenyl-5,6-di(ethylidene)-2-[(Z)-prop-1-enyl]imidazo[2,1-a]isoquinoline?
The canonical SMILES for (5E,6Z)-3-ethenyl-5,6-di(ethylidene)-2-[(Z)-prop-1-enyl]imidazo[2,1-a]isoquinoline is C=Cc1c(/C=C\C)nc2c3ccccc3c(=C/C)/c(=C\C)n12.
What is the InChIKey of (5E,6Z)-3-ethenyl-5,6-di(ethylidene)-2-[(Z)-prop-1-enyl]imidazo[2,1-a]isoquinoline?
The InChIKey is YXMWQTBNBYAEHD-KXLIWHKTSA-N. The full InChI is InChI=1S/C20H20N2/c1-5-11-17-19(8-4)22-18(7-3)14(6-2)15-12-9-10-13-16(15)20(22)21-17/h5-13H,4H2,1-3H3/b11-5-,14-6-,18-7+.
What are the key properties of (5E,6Z)-3-ethenyl-5,6-di(ethylidene)-2-[(Z)-prop-1-enyl]imidazo[2,1-a]isoquinoline?
(5E,6Z)-3-ethenyl-5,6-di(ethylidene)-2-[(Z)-prop-1-enyl]imidazo[2,1-a]isoquinoline has a molecular weight of 288.39 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6Z)-3-ethenyl-5,6-di(ethylidene)-2-[(Z)-prop-1-enyl]imidazo[2,1-a]isoquinoline is sourced from PubChem (CID 166644809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).