1-(4-but-1-en-2-yl-2-methoxyphenyl)-4-methylimidazole

C15H18N2O — CID 91094143

IUPAC1-(4-but-1-en-2-yl-2-methoxyphenyl)-4-methylimidazole
SMILESC=C(CC)c1ccc(-n2cnc(C)c2)c(OC)c1
InChIInChI=1S/C15H18N2O/c1-5-11(2)13-6-7-14(15(8-13)18-4)17-9-12(3)16-10-17/h6-10H,2,5H2,1,3-4H3
InChIKeyFVCQNCAXWRFFAU-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.61
Rot. Bonds4

About 1-(4-but-1-en-2-yl-2-methoxyphenyl)-4-methylimidazole

1-(4-but-1-en-2-yl-2-methoxyphenyl)-4-methylimidazole (PubChem CID 91094143) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(4-but-1-en-2-yl-2-methoxyphenyl)-4-methylimidazole.

Molecular Properties

Compound Name1-(4-but-1-en-2-yl-2-methoxyphenyl)-4-methylimidazole
PubChem CID91094143
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(4-but-1-en-2-yl-2-methoxyphenyl)-4-methylimidazole
SMILESC=C(CC)c1ccc(-n2cnc(C)c2)c(OC)c1
InChIInChI=1S/C15H18N2O/c1-5-11(2)13-6-7-14(15(8-13)18-4)17-9-12(3)16-10-17/h6-10H,2,5H2,1,3-4H3
InChIKeyFVCQNCAXWRFFAU-UHFFFAOYSA-N
XLogP3.61
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-but-1-en-2-yl-2-methoxyphenyl)-4-methylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride
CID 66607849
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine
CID 68592145
ethane;3-methoxy-4-(4-methylimidazol-1-yl)aniline
CID 144841192
2-[3-ethoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoic acid
CID 66961255
trifluoro-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]boranuide
CID 140582920
3-methoxy-4-(4-methylimidazol-1-yl)benzenesulfonyl chloride
CID 59591064
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methyl-1H-1,2,4-triazole
CID 67797926
benzyl N-[[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]amino]carbamate
CID 66618835
(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoic acid
CID 59528030
(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
CID 68521034
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[4-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 153216978
[fluoro-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]phosphonic acid
CID 67549531

Frequently Asked Questions

What is the IUPAC name of 1-(4-but-1-en-2-yl-2-methoxyphenyl)-4-methylimidazole?
The IUPAC name of 1-(4-but-1-en-2-yl-2-methoxyphenyl)-4-methylimidazole (CID 91094143) is 1-(4-but-1-en-2-yl-2-methoxyphenyl)-4-methylimidazole.
What is the SMILES notation for 1-(4-but-1-en-2-yl-2-methoxyphenyl)-4-methylimidazole?
The canonical SMILES for 1-(4-but-1-en-2-yl-2-methoxyphenyl)-4-methylimidazole is C=C(CC)c1ccc(-n2cnc(C)c2)c(OC)c1.
What is the InChIKey of 1-(4-but-1-en-2-yl-2-methoxyphenyl)-4-methylimidazole?
The InChIKey is FVCQNCAXWRFFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-5-11(2)13-6-7-14(15(8-13)18-4)17-9-12(3)16-10-17/h6-10H,2,5H2,1,3-4H3.
What are the key properties of 1-(4-but-1-en-2-yl-2-methoxyphenyl)-4-methylimidazole?
1-(4-but-1-en-2-yl-2-methoxyphenyl)-4-methylimidazole has a molecular weight of 242.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-but-1-en-2-yl-2-methoxyphenyl)-4-methylimidazole is sourced from PubChem (CID 91094143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).