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

C23H32N2O — CID 139924548

IUPAC5-methyl-1-[(E)-2-methyl-3-(4-pentoxy-5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enyl]imidazole
SMILESCCCCCOc1ccc(/C=C(\C)Cn2cncc2C)c2c1CCCC2
InChIInChI=1S/C23H32N2O/c1-4-5-8-13-26-23-12-11-20(21-9-6-7-10-22(21)23)14-18(2)16-25-17-24-15-19(25)3/h11-12,14-15,17H,4-10,13,16H2,1-3H3/b18-14+
InChIKeyUPLGQHSOYUKDIH-NBVRZTHBSA-N
MW352.52 g/mol
LogP5.74
Rot. Bonds8

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

5-methyl-1-[(E)-2-methyl-3-(4-pentoxy-5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enyl]imidazole (PubChem CID 139924548) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is 5-methyl-1-[(E)-2-methyl-3-(4-pentoxy-5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enyl]imidazole.

Molecular Properties

Compound Name5-methyl-1-[(E)-2-methyl-3-(4-pentoxy-5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enyl]imidazole
PubChem CID139924548
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name5-methyl-1-[(E)-2-methyl-3-(4-pentoxy-5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enyl]imidazole
SMILESCCCCCOc1ccc(/C=C(\C)Cn2cncc2C)c2c1CCCC2
InChIInChI=1S/C23H32N2O/c1-4-5-8-13-26-23-12-11-20(21-9-6-7-10-22(21)23)14-18(2)16-25-17-24-15-19(25)3/h11-12,14-15,17H,4-10,13,16H2,1-3H3/b18-14+
InChIKeyUPLGQHSOYUKDIH-NBVRZTHBSA-N
XLogP5.74
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(E)-2-methyl-3-(4-pentoxy-5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enyl]imidazole?
The IUPAC name of 5-methyl-1-[(E)-2-methyl-3-(4-pentoxy-5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enyl]imidazole (CID 139924548) is 5-methyl-1-[(E)-2-methyl-3-(4-pentoxy-5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enyl]imidazole.
What is the SMILES notation for 5-methyl-1-[(E)-2-methyl-3-(4-pentoxy-5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enyl]imidazole?
The canonical SMILES for 5-methyl-1-[(E)-2-methyl-3-(4-pentoxy-5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enyl]imidazole is CCCCCOc1ccc(/C=C(\C)Cn2cncc2C)c2c1CCCC2.
What is the InChIKey of 5-methyl-1-[(E)-2-methyl-3-(4-pentoxy-5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enyl]imidazole?
The InChIKey is UPLGQHSOYUKDIH-NBVRZTHBSA-N. The full InChI is InChI=1S/C23H32N2O/c1-4-5-8-13-26-23-12-11-20(21-9-6-7-10-22(21)23)14-18(2)16-25-17-24-15-19(25)3/h11-12,14-15,17H,4-10,13,16H2,1-3H3/b18-14+.
What are the key properties of 5-methyl-1-[(E)-2-methyl-3-(4-pentoxy-5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enyl]imidazole?
5-methyl-1-[(E)-2-methyl-3-(4-pentoxy-5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enyl]imidazole has a molecular weight of 352.52 g/mol, XLogP of 5.74, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(E)-2-methyl-3-(4-pentoxy-5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enyl]imidazole is sourced from PubChem (CID 139924548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).