1-[(2Z)-2-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]butyl]imidazole

C19H24N2O — CID 139924628

IUPAC1-[(2Z)-2-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]butyl]imidazole
SMILESCC/C(=C/c1ccc(OC)c2c1CCCC2)Cn1ccnc1
InChIInChI=1S/C19H24N2O/c1-3-15(13-21-11-10-20-14-21)12-16-8-9-19(22-2)18-7-5-4-6-17(16)18/h8-12,14H,3-7,13H2,1-2H3/b15-12-
InChIKeyHURGBUJCKJEFOF-QINSGFPZSA-N
MW296.41 g/mol
LogP4.26
Rot. Bonds5

About 1-[(2Z)-2-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]butyl]imidazole

1-[(2Z)-2-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]butyl]imidazole (PubChem CID 139924628) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[(2Z)-2-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]butyl]imidazole.

Molecular Properties

Compound Name1-[(2Z)-2-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]butyl]imidazole
PubChem CID139924628
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name1-[(2Z)-2-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]butyl]imidazole
SMILESCC/C(=C/c1ccc(OC)c2c1CCCC2)Cn1ccnc1
InChIInChI=1S/C19H24N2O/c1-3-15(13-21-11-10-20-14-21)12-16-8-9-19(22-2)18-7-5-4-6-17(16)18/h8-12,14H,3-7,13H2,1-2H3/b15-12-
InChIKeyHURGBUJCKJEFOF-QINSGFPZSA-N
XLogP4.26
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2Z)-2-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]butyl]imidazole?
The IUPAC name of 1-[(2Z)-2-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]butyl]imidazole (CID 139924628) is 1-[(2Z)-2-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]butyl]imidazole.
What is the SMILES notation for 1-[(2Z)-2-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]butyl]imidazole?
The canonical SMILES for 1-[(2Z)-2-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]butyl]imidazole is CC/C(=C/c1ccc(OC)c2c1CCCC2)Cn1ccnc1.
What is the InChIKey of 1-[(2Z)-2-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]butyl]imidazole?
The InChIKey is HURGBUJCKJEFOF-QINSGFPZSA-N. The full InChI is InChI=1S/C19H24N2O/c1-3-15(13-21-11-10-20-14-21)12-16-8-9-19(22-2)18-7-5-4-6-17(16)18/h8-12,14H,3-7,13H2,1-2H3/b15-12-.
What are the key properties of 1-[(2Z)-2-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]butyl]imidazole?
1-[(2Z)-2-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]butyl]imidazole has a molecular weight of 296.41 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z)-2-[(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)methylidene]butyl]imidazole is sourced from PubChem (CID 139924628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).