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

C20H26N2O — CID 139924637

IUPAC1-[(E)-3-[4-(2-methylpropoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-enyl]imidazole
SMILESCC(C)COc1ccc(/C=C/Cn2ccnc2)c2c1CCCC2
InChIInChI=1S/C20H26N2O/c1-16(2)14-23-20-10-9-17(18-7-3-4-8-19(18)20)6-5-12-22-13-11-21-15-22/h5-6,9-11,13,15-16H,3-4,7-8,12,14H2,1-2H3/b6-5+
InChIKeyDOXIUVUNGVPYIX-AATRIKPKSA-N
MW310.44 g/mol
LogP4.51
Rot. Bonds6

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

1-[(E)-3-[4-(2-methylpropoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-enyl]imidazole (PubChem CID 139924637) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[(E)-3-[4-(2-methylpropoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-enyl]imidazole.

Molecular Properties

Compound Name1-[(E)-3-[4-(2-methylpropoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-enyl]imidazole
PubChem CID139924637
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name1-[(E)-3-[4-(2-methylpropoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-enyl]imidazole
SMILESCC(C)COc1ccc(/C=C/Cn2ccnc2)c2c1CCCC2
InChIInChI=1S/C20H26N2O/c1-16(2)14-23-20-10-9-17(18-7-3-4-8-19(18)20)6-5-12-22-13-11-21-15-22/h5-6,9-11,13,15-16H,3-4,7-8,12,14H2,1-2H3/b6-5+
InChIKeyDOXIUVUNGVPYIX-AATRIKPKSA-N
XLogP4.51
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 ≤ 54.51
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-(2-methylpropoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-enyl]imidazole?
The IUPAC name of 1-[(E)-3-[4-(2-methylpropoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-enyl]imidazole (CID 139924637) is 1-[(E)-3-[4-(2-methylpropoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-enyl]imidazole.
What is the SMILES notation for 1-[(E)-3-[4-(2-methylpropoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-enyl]imidazole?
The canonical SMILES for 1-[(E)-3-[4-(2-methylpropoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-enyl]imidazole is CC(C)COc1ccc(/C=C/Cn2ccnc2)c2c1CCCC2.
What is the InChIKey of 1-[(E)-3-[4-(2-methylpropoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-enyl]imidazole?
The InChIKey is DOXIUVUNGVPYIX-AATRIKPKSA-N. The full InChI is InChI=1S/C20H26N2O/c1-16(2)14-23-20-10-9-17(18-7-3-4-8-19(18)20)6-5-12-22-13-11-21-15-22/h5-6,9-11,13,15-16H,3-4,7-8,12,14H2,1-2H3/b6-5+.
What are the key properties of 1-[(E)-3-[4-(2-methylpropoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-enyl]imidazole?
1-[(E)-3-[4-(2-methylpropoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-enyl]imidazole has a molecular weight of 310.44 g/mol, XLogP of 4.51, 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-(2-methylpropoxy)-5,6,7,8-tetrahydronaphthalen-1-yl]prop-2-enyl]imidazole is sourced from PubChem (CID 139924637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).