1-[(2E)-2-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]pentyl]-2-methylimidazole

C21H28N2O — CID 139924556

IUPAC1-[(2E)-2-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]pentyl]-2-methylimidazole
SMILESCCC/C(=C\c1ccc(OC)c2c1CCCC2)Cn1ccnc1C
InChIInChI=1S/C21H28N2O/c1-4-7-17(15-23-13-12-22-16(23)2)14-18-10-11-21(24-3)20-9-6-5-8-19(18)20/h10-14H,4-9,15H2,1-3H3/b17-14+
InChIKeyDINGSGGUHJIOAT-SAPNQHFASA-N
MW324.47 g/mol
LogP4.96
Rot. Bonds6

About 1-[(2E)-2-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]pentyl]-2-methylimidazole

1-[(2E)-2-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]pentyl]-2-methylimidazole (PubChem CID 139924556) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-[(2E)-2-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]pentyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[(2E)-2-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]pentyl]-2-methylimidazole
PubChem CID139924556
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name1-[(2E)-2-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]pentyl]-2-methylimidazole
SMILESCCC/C(=C\c1ccc(OC)c2c1CCCC2)Cn1ccnc1C
InChIInChI=1S/C21H28N2O/c1-4-7-17(15-23-13-12-22-16(23)2)14-18-10-11-21(24-3)20-9-6-5-8-19(18)20/h10-14H,4-9,15H2,1-3H3/b17-14+
InChIKeyDINGSGGUHJIOAT-SAPNQHFASA-N
XLogP4.96
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 ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2E)-2-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]pentyl]-2-methylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-2-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]pentyl]-2-methylimidazole?
The IUPAC name of 1-[(2E)-2-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]pentyl]-2-methylimidazole (CID 139924556) is 1-[(2E)-2-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]pentyl]-2-methylimidazole.
What is the SMILES notation for 1-[(2E)-2-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]pentyl]-2-methylimidazole?
The canonical SMILES for 1-[(2E)-2-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]pentyl]-2-methylimidazole is CCC/C(=C\c1ccc(OC)c2c1CCCC2)Cn1ccnc1C.
What is the InChIKey of 1-[(2E)-2-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]pentyl]-2-methylimidazole?
The InChIKey is DINGSGGUHJIOAT-SAPNQHFASA-N. The full InChI is InChI=1S/C21H28N2O/c1-4-7-17(15-23-13-12-22-16(23)2)14-18-10-11-21(24-3)20-9-6-5-8-19(18)20/h10-14H,4-9,15H2,1-3H3/b17-14+.
What are the key properties of 1-[(2E)-2-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]pentyl]-2-methylimidazole?
1-[(2E)-2-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]pentyl]-2-methylimidazole has a molecular weight of 324.47 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-2-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]pentyl]-2-methylimidazole is sourced from PubChem (CID 139924556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).