1-[1-(2-hexoxyphenyl)prop-1-enyl]imidazole

C18H24N2O — CID 70426848

IUPAC1-[1-(2-hexoxyphenyl)prop-1-enyl]imidazole
SMILESCC=C(c1ccccc1OCCCCCC)n1ccnc1
InChIInChI=1S/C18H24N2O/c1-3-5-6-9-14-21-18-11-8-7-10-16(18)17(4-2)20-13-12-19-15-20/h4,7-8,10-13,15H,3,5-6,9,14H2,1-2H3
InChIKeyNRMQMXBNAHYUKU-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.75
Rot. Bonds8

About 1-[1-(2-hexoxyphenyl)prop-1-enyl]imidazole

1-[1-(2-hexoxyphenyl)prop-1-enyl]imidazole (PubChem CID 70426848) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[1-(2-hexoxyphenyl)prop-1-enyl]imidazole.

Molecular Properties

Compound Name1-[1-(2-hexoxyphenyl)prop-1-enyl]imidazole
PubChem CID70426848
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-[1-(2-hexoxyphenyl)prop-1-enyl]imidazole
SMILESCC=C(c1ccccc1OCCCCCC)n1ccnc1
InChIInChI=1S/C18H24N2O/c1-3-5-6-9-14-21-18-11-8-7-10-16(18)17(4-2)20-13-12-19-15-20/h4,7-8,10-13,15H,3,5-6,9,14H2,1-2H3
InChIKeyNRMQMXBNAHYUKU-UHFFFAOYSA-N
XLogP4.75
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.75
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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Related Compounds

1-[2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole
CID 4459
imidazol-1-yl-(2-octadecoxyphenyl)methanone
CID 58661296
1-[(E)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole;2H-triazole
CID 174953338
1-[(Z)-1-(2-butoxyphenyl)-2-ethylsulfanylethenyl]imidazole
CID 10425029
N-(azepan-1-yl)-1-imidazol-1-yl-1-(2-octoxyphenyl)methanimine
CID 67412141
1-[1-[2-[(4-chlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole
CID 3007491
1-imidazol-1-yl-1-(2-pentoxyphenyl)-N-piperidin-1-ylmethanimine
CID 67412800
1-[(Z)-1-(5-chloro-2-propoxyphenyl)prop-1-enyl]imidazole
CID 6479461
1-[(Z)-1-[2-[(3-chlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole
CID 6479458
1-[2-methyl-1-(2-propoxyphenyl)prop-1-enyl]imidazole
CID 3007515
1-[1-(2-ethoxyphenyl)-2-phenylsulfanylethenyl]imidazole
CID 67750303
2-hexoxybenzenecarbothioamide
CID 22684505

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hexoxyphenyl)prop-1-enyl]imidazole?
The IUPAC name of 1-[1-(2-hexoxyphenyl)prop-1-enyl]imidazole (CID 70426848) is 1-[1-(2-hexoxyphenyl)prop-1-enyl]imidazole.
What is the SMILES notation for 1-[1-(2-hexoxyphenyl)prop-1-enyl]imidazole?
The canonical SMILES for 1-[1-(2-hexoxyphenyl)prop-1-enyl]imidazole is CC=C(c1ccccc1OCCCCCC)n1ccnc1.
What is the InChIKey of 1-[1-(2-hexoxyphenyl)prop-1-enyl]imidazole?
The InChIKey is NRMQMXBNAHYUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-5-6-9-14-21-18-11-8-7-10-16(18)17(4-2)20-13-12-19-15-20/h4,7-8,10-13,15H,3,5-6,9,14H2,1-2H3.
What are the key properties of 1-[1-(2-hexoxyphenyl)prop-1-enyl]imidazole?
1-[1-(2-hexoxyphenyl)prop-1-enyl]imidazole has a molecular weight of 284.40 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hexoxyphenyl)prop-1-enyl]imidazole is sourced from PubChem (CID 70426848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).