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

C21H28N2O — CID 139924634

IUPAC1-[(E)-3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylprop-2-enyl]-2-propylimidazole
SMILESCCCc1nccn1C/C(C)=C/c1ccc(OC)c2c1CCCC2
InChIInChI=1S/C21H28N2O/c1-4-7-21-22-12-13-23(21)15-16(2)14-17-10-11-20(24-3)19-9-6-5-8-18(17)19/h10-14H,4-9,15H2,1-3H3/b16-14+
InChIKeyOPHBGHKRQYUDPO-JQIJEIRASA-N
MW324.47 g/mol
LogP4.83
Rot. Bonds6

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

1-[(E)-3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylprop-2-enyl]-2-propylimidazole (PubChem CID 139924634) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[(E)-3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylprop-2-enyl]-2-propylimidazole.

Molecular Properties

Compound Name1-[(E)-3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylprop-2-enyl]-2-propylimidazole
PubChem CID139924634
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name1-[(E)-3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylprop-2-enyl]-2-propylimidazole
SMILESCCCc1nccn1C/C(C)=C/c1ccc(OC)c2c1CCCC2
InChIInChI=1S/C21H28N2O/c1-4-7-21-22-12-13-23(21)15-16(2)14-17-10-11-20(24-3)19-9-6-5-8-18(17)19/h10-14H,4-9,15H2,1-3H3/b16-14+
InChIKeyOPHBGHKRQYUDPO-JQIJEIRASA-N
XLogP4.83
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.83
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)-2-methylprop-2-enyl]-2-propylimidazole?
The IUPAC name of 1-[(E)-3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylprop-2-enyl]-2-propylimidazole (CID 139924634) is 1-[(E)-3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylprop-2-enyl]-2-propylimidazole.
What is the SMILES notation for 1-[(E)-3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylprop-2-enyl]-2-propylimidazole?
The canonical SMILES for 1-[(E)-3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylprop-2-enyl]-2-propylimidazole is CCCc1nccn1C/C(C)=C/c1ccc(OC)c2c1CCCC2.
What is the InChIKey of 1-[(E)-3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylprop-2-enyl]-2-propylimidazole?
The InChIKey is OPHBGHKRQYUDPO-JQIJEIRASA-N. The full InChI is InChI=1S/C21H28N2O/c1-4-7-21-22-12-13-23(21)15-16(2)14-17-10-11-20(24-3)19-9-6-5-8-18(17)19/h10-14H,4-9,15H2,1-3H3/b16-14+.
What are the key properties of 1-[(E)-3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylprop-2-enyl]-2-propylimidazole?
1-[(E)-3-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-methylprop-2-enyl]-2-propylimidazole has a molecular weight of 324.47 g/mol, XLogP of 4.83, 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)-2-methylprop-2-enyl]-2-propylimidazole is sourced from PubChem (CID 139924634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).