1-[(E)-3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enyl]-2-propylimidazole

C20H26N2O — CID 139924540

IUPAC1-[(E)-3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enyl]-2-propylimidazole
SMILESCCCc1nccn1C/C=C/c1ccc(OC)c2c1CCCC2
InChIInChI=1S/C20H26N2O/c1-3-7-20-21-13-15-22(20)14-6-8-16-11-12-19(23-2)18-10-5-4-9-17(16)18/h6,8,11-13,15H,3-5,7,9-10,14H2,1-2H3/b8-6+
InChIKeyLGORQHDFKDAQEG-SOFGYWHQSA-N
MW310.44 g/mol
LogP4.44
Rot. Bonds6

About 1-[(E)-3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enyl]-2-propylimidazole

1-[(E)-3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enyl]-2-propylimidazole (PubChem CID 139924540) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[(E)-3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enyl]-2-propylimidazole.

Molecular Properties

Compound Name1-[(E)-3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enyl]-2-propylimidazole
PubChem CID139924540
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name1-[(E)-3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enyl]-2-propylimidazole
SMILESCCCc1nccn1C/C=C/c1ccc(OC)c2c1CCCC2
InChIInChI=1S/C20H26N2O/c1-3-7-20-21-13-15-22(20)14-6-8-16-11-12-19(23-2)18-10-5-4-9-17(16)18/h6,8,11-13,15H,3-5,7,9-10,14H2,1-2H3/b8-6+
InChIKeyLGORQHDFKDAQEG-SOFGYWHQSA-N
XLogP4.44
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enyl]-2-propylimidazole?
The IUPAC name of 1-[(E)-3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enyl]-2-propylimidazole (CID 139924540) is 1-[(E)-3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enyl]-2-propylimidazole.
What is the SMILES notation for 1-[(E)-3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enyl]-2-propylimidazole?
The canonical SMILES for 1-[(E)-3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enyl]-2-propylimidazole is CCCc1nccn1C/C=C/c1ccc(OC)c2c1CCCC2.
What is the InChIKey of 1-[(E)-3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enyl]-2-propylimidazole?
The InChIKey is LGORQHDFKDAQEG-SOFGYWHQSA-N. The full InChI is InChI=1S/C20H26N2O/c1-3-7-20-21-13-15-22(20)14-6-8-16-11-12-19(23-2)18-10-5-4-9-17(16)18/h6,8,11-13,15H,3-5,7,9-10,14H2,1-2H3/b8-6+.
What are the key properties of 1-[(E)-3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enyl]-2-propylimidazole?
1-[(E)-3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enyl]-2-propylimidazole has a molecular weight of 310.44 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enyl]-2-propylimidazole is sourced from PubChem (CID 139924540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).