1-[(E)-4-naphthalen-2-ylbut-3-enyl]imidazole

C17H16N2 — CID 12973087

IUPAC1-[(E)-4-naphthalen-2-ylbut-3-enyl]imidazole
SMILESC(=C/c1ccc2ccccc2c1)\CCn1ccnc1
InChIInChI=1S/C17H16N2/c1-2-7-17-13-15(8-9-16(17)6-1)5-3-4-11-19-12-10-18-14-19/h1-3,5-10,12-14H,4,11H2/b5-3+
InChIKeyXOFFKYBAYDBHJX-HWKANZROSA-N
MW248.33 g/mol
LogP4.14
Rot. Bonds4

About 1-[(E)-4-naphthalen-2-ylbut-3-enyl]imidazole

1-[(E)-4-naphthalen-2-ylbut-3-enyl]imidazole (PubChem CID 12973087) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[(E)-4-naphthalen-2-ylbut-3-enyl]imidazole.

Molecular Properties

Compound Name1-[(E)-4-naphthalen-2-ylbut-3-enyl]imidazole
PubChem CID12973087
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name1-[(E)-4-naphthalen-2-ylbut-3-enyl]imidazole
SMILESC(=C/c1ccc2ccccc2c1)\CCn1ccnc1
InChIInChI=1S/C17H16N2/c1-2-7-17-13-15(8-9-16(17)6-1)5-3-4-11-19-12-10-18-14-19/h1-3,5-10,12-14H,4,11H2/b5-3+
InChIKeyXOFFKYBAYDBHJX-HWKANZROSA-N
XLogP4.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-naphthalen-2-ylbut-3-en-1-ol
CID 54291326
1-[7-(4-methoxyphenyl)hept-6-enyl]imidazole;hydrochloride
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4-imidazol-1-yl-N-(naphthalen-2-ylmethyl)butan-1-amine
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3-imidazol-1-yl-1-naphthalen-2-ylpropan-1-one
CID 3058924
(E)-5-naphthalen-2-ylpent-4-en-1-ol
CID 11252836
1-(3-phenylprop-2-enyl)imidazole;hydrochloride
CID 174925347
3-naphthalen-2-ylprop-2-en-1-amine
CID 76997157
2-[(E)-3-imidazol-1-ylprop-1-enyl]quinoline
CID 18467017
(E)-5-naphthalen-2-ylpent-4-enoic acid
CID 10263103
2-[(E)-docos-1-enyl]naphthalene
CID 101307759
2-[(E)-dodec-1-enyl]naphthalene
CID 101304399
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CID 67859856

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-naphthalen-2-ylbut-3-enyl]imidazole?
The IUPAC name of 1-[(E)-4-naphthalen-2-ylbut-3-enyl]imidazole (CID 12973087) is 1-[(E)-4-naphthalen-2-ylbut-3-enyl]imidazole.
What is the SMILES notation for 1-[(E)-4-naphthalen-2-ylbut-3-enyl]imidazole?
The canonical SMILES for 1-[(E)-4-naphthalen-2-ylbut-3-enyl]imidazole is C(=C/c1ccc2ccccc2c1)\CCn1ccnc1.
What is the InChIKey of 1-[(E)-4-naphthalen-2-ylbut-3-enyl]imidazole?
The InChIKey is XOFFKYBAYDBHJX-HWKANZROSA-N. The full InChI is InChI=1S/C17H16N2/c1-2-7-17-13-15(8-9-16(17)6-1)5-3-4-11-19-12-10-18-14-19/h1-3,5-10,12-14H,4,11H2/b5-3+.
What are the key properties of 1-[(E)-4-naphthalen-2-ylbut-3-enyl]imidazole?
1-[(E)-4-naphthalen-2-ylbut-3-enyl]imidazole has a molecular weight of 248.33 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-naphthalen-2-ylbut-3-enyl]imidazole is sourced from PubChem (CID 12973087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).