1-[1-[2-(2,2-dimethylpropoxy)phenyl]-2-methylprop-1-enyl]imidazole

C18H24N2O — CID 3007518

IUPAC1-[1-[2-(2,2-dimethylpropoxy)phenyl]-2-methylprop-1-enyl]imidazole
SMILESCC(C)=C(c1ccccc1OCC(C)(C)C)n1ccnc1
InChIInChI=1S/C18H24N2O/c1-14(2)17(20-11-10-19-13-20)15-8-6-7-9-16(15)21-12-18(3,4)5/h6-11,13H,12H2,1-5H3
InChIKeyULGYICCRQDEBRL-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.61
Rot. Bonds4

About 1-[1-[2-(2,2-dimethylpropoxy)phenyl]-2-methylprop-1-enyl]imidazole

1-[1-[2-(2,2-dimethylpropoxy)phenyl]-2-methylprop-1-enyl]imidazole (PubChem CID 3007518) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-[1-[2-(2,2-dimethylpropoxy)phenyl]-2-methylprop-1-enyl]imidazole.

Molecular Properties

Compound Name1-[1-[2-(2,2-dimethylpropoxy)phenyl]-2-methylprop-1-enyl]imidazole
PubChem CID3007518
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-[1-[2-(2,2-dimethylpropoxy)phenyl]-2-methylprop-1-enyl]imidazole
SMILESCC(C)=C(c1ccccc1OCC(C)(C)C)n1ccnc1
InChIInChI=1S/C18H24N2O/c1-14(2)17(20-11-10-19-13-20)15-8-6-7-9-16(15)21-12-18(3,4)5/h6-11,13H,12H2,1-5H3
InChIKeyULGYICCRQDEBRL-UHFFFAOYSA-N
XLogP4.61
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-methyl-1-(2-propoxyphenyl)prop-1-enyl]imidazole
CID 3007515
1-[1-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]-2-methylprop-1-enyl]imidazole
CID 3007501
1,2-bis(2,2-dimethylpropoxy)benzene
CID 15508253
imidazol-1-yl-(2-octadecoxyphenyl)methanone
CID 58661296
1-imidazol-1-yl-1-(2-pentoxyphenyl)-N-piperidin-1-ylmethanimine
CID 67412800
N-ethyl-N-[(Z)-[imidazol-1-yl-[2-(2-phenoxyethoxy)phenyl]methylidene]amino]ethanamine
CID 87390011
N-[[imidazol-1-yl-[2-(2-phenylethoxy)phenyl]methylidene]amino]-N-methylmethanamine
CID 67414235
1-[1-(2-hexoxyphenyl)prop-1-enyl]imidazole
CID 70426848
1-[1-(2-methoxyphenyl)ethenyl]imidazole
CID 3007441
N-(azepan-1-yl)-1-imidazol-1-yl-1-(2-octoxyphenyl)methanimine
CID 67412141
N-[(E)-[[2-[(4-ethylphenyl)methoxy]phenyl]-imidazol-1-ylmethylidene]amino]-N-methylmethanamine
CID 87389655
1-[(Z)-1-[2-[(3-chlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole
CID 6479458

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2,2-dimethylpropoxy)phenyl]-2-methylprop-1-enyl]imidazole?
The IUPAC name of 1-[1-[2-(2,2-dimethylpropoxy)phenyl]-2-methylprop-1-enyl]imidazole (CID 3007518) is 1-[1-[2-(2,2-dimethylpropoxy)phenyl]-2-methylprop-1-enyl]imidazole.
What is the SMILES notation for 1-[1-[2-(2,2-dimethylpropoxy)phenyl]-2-methylprop-1-enyl]imidazole?
The canonical SMILES for 1-[1-[2-(2,2-dimethylpropoxy)phenyl]-2-methylprop-1-enyl]imidazole is CC(C)=C(c1ccccc1OCC(C)(C)C)n1ccnc1.
What is the InChIKey of 1-[1-[2-(2,2-dimethylpropoxy)phenyl]-2-methylprop-1-enyl]imidazole?
The InChIKey is ULGYICCRQDEBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14(2)17(20-11-10-19-13-20)15-8-6-7-9-16(15)21-12-18(3,4)5/h6-11,13H,12H2,1-5H3.
What are the key properties of 1-[1-[2-(2,2-dimethylpropoxy)phenyl]-2-methylprop-1-enyl]imidazole?
1-[1-[2-(2,2-dimethylpropoxy)phenyl]-2-methylprop-1-enyl]imidazole has a molecular weight of 284.40 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2,2-dimethylpropoxy)phenyl]-2-methylprop-1-enyl]imidazole is sourced from PubChem (CID 3007518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).