1-[2-methyl-1-(2-propoxyphenyl)prop-1-enyl]imidazole

C16H20N2O — CID 3007515

IUPAC1-[2-methyl-1-(2-propoxyphenyl)prop-1-enyl]imidazole
SMILESCCCOc1ccccc1C(=C(C)C)n1ccnc1
InChIInChI=1S/C16H20N2O/c1-4-11-19-15-8-6-5-7-14(15)16(13(2)3)18-10-9-17-12-18/h5-10,12H,4,11H2,1-3H3
InChIKeyYFQJWGBBIHEXRT-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.97
Rot. Bonds5

About 1-[2-methyl-1-(2-propoxyphenyl)prop-1-enyl]imidazole

1-[2-methyl-1-(2-propoxyphenyl)prop-1-enyl]imidazole (PubChem CID 3007515) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[2-methyl-1-(2-propoxyphenyl)prop-1-enyl]imidazole.

Molecular Properties

Compound Name1-[2-methyl-1-(2-propoxyphenyl)prop-1-enyl]imidazole
PubChem CID3007515
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-[2-methyl-1-(2-propoxyphenyl)prop-1-enyl]imidazole
SMILESCCCOc1ccccc1C(=C(C)C)n1ccnc1
InChIInChI=1S/C16H20N2O/c1-4-11-19-15-8-6-5-7-14(15)16(13(2)3)18-10-9-17-12-18/h5-10,12H,4,11H2,1-3H3
InChIKeyYFQJWGBBIHEXRT-UHFFFAOYSA-N
XLogP3.97
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-(2,2-dimethylpropoxy)phenyl]-2-methylprop-1-enyl]imidazole
CID 3007518
imidazol-1-yl-(2-octadecoxyphenyl)methanone
CID 58661296
1-[1-(2-hexoxyphenyl)prop-1-enyl]imidazole
CID 70426848
1-[2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole
CID 4459
1-[(Z)-1-(2-butoxyphenyl)-2-ethylsulfanylethenyl]imidazole
CID 10425029
1-imidazol-1-yl-1-(2-pentoxyphenyl)-N-piperidin-1-ylmethanimine
CID 67412800
N-(azepan-1-yl)-1-imidazol-1-yl-1-(2-octoxyphenyl)methanimine
CID 67412141
N-ethyl-N-[(Z)-[imidazol-1-yl-[2-(2-phenoxyethoxy)phenyl]methylidene]amino]ethanamine
CID 87390011
1-[(E)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole;2H-triazole
CID 174953338
1-[(Z)-1-(5-chloro-2-propoxyphenyl)prop-1-enyl]imidazole
CID 6479461
1-[1-[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]-2-methylprop-1-enyl]imidazole
CID 3007501
N-[[imidazol-1-yl-[2-(2-phenylethoxy)phenyl]methylidene]amino]-N-methylmethanamine
CID 67414235

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-1-(2-propoxyphenyl)prop-1-enyl]imidazole?
The IUPAC name of 1-[2-methyl-1-(2-propoxyphenyl)prop-1-enyl]imidazole (CID 3007515) is 1-[2-methyl-1-(2-propoxyphenyl)prop-1-enyl]imidazole.
What is the SMILES notation for 1-[2-methyl-1-(2-propoxyphenyl)prop-1-enyl]imidazole?
The canonical SMILES for 1-[2-methyl-1-(2-propoxyphenyl)prop-1-enyl]imidazole is CCCOc1ccccc1C(=C(C)C)n1ccnc1.
What is the InChIKey of 1-[2-methyl-1-(2-propoxyphenyl)prop-1-enyl]imidazole?
The InChIKey is YFQJWGBBIHEXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-4-11-19-15-8-6-5-7-14(15)16(13(2)3)18-10-9-17-12-18/h5-10,12H,4,11H2,1-3H3.
What are the key properties of 1-[2-methyl-1-(2-propoxyphenyl)prop-1-enyl]imidazole?
1-[2-methyl-1-(2-propoxyphenyl)prop-1-enyl]imidazole has a molecular weight of 256.35 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-(2-propoxyphenyl)prop-1-enyl]imidazole is sourced from PubChem (CID 3007515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).