ethane;1-[(4-methoxyphenyl)methyl]-4-methylimidazole

C14H20N2O — CID 144619919

IUPACethane;1-[(4-methoxyphenyl)methyl]-4-methylimidazole
SMILESCC.COc1ccc(Cn2cnc(C)c2)cc1
InChIInChI=1S/C12H14N2O.C2H6/c1-10-7-14(9-13-10)8-11-3-5-12(15-2)6-4-11;1-2/h3-7,9H,8H2,1-2H3;1-2H3
InChIKeyRJJFGCZKJFETLY-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.27
Rot. Bonds3

About ethane;1-[(4-methoxyphenyl)methyl]-4-methylimidazole

ethane;1-[(4-methoxyphenyl)methyl]-4-methylimidazole (PubChem CID 144619919) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is ethane;1-[(4-methoxyphenyl)methyl]-4-methylimidazole.

Molecular Properties

Compound Nameethane;1-[(4-methoxyphenyl)methyl]-4-methylimidazole
PubChem CID144619919
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Nameethane;1-[(4-methoxyphenyl)methyl]-4-methylimidazole
SMILESCC.COc1ccc(Cn2cnc(C)c2)cc1
InChIInChI=1S/C12H14N2O.C2H6/c1-10-7-14(9-13-10)8-11-3-5-12(15-2)6-4-11;1-2/h3-7,9H,8H2,1-2H3;1-2H3
InChIKeyRJJFGCZKJFETLY-UHFFFAOYSA-N
XLogP3.27
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;1-[(4-methoxyphenyl)methyl]-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

1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 83894862
1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721079
N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719431
N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106719791
2-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121460620
2-methoxy-N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720459
4-[furan-2-yl(methoxy)methyl]-1-[(4-methoxyphenyl)methyl]imidazole
CID 46185798
2-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methylidene]-3,3-dimethylbutanoic acid
CID 175183750
2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 23377749
N-methyl-2-[1-[(4-methylphenyl)methyl]imidazol-4-yl]ethanamine
CID 79985488
3-methoxy-1-[(4-methoxyphenyl)methyl]indazole
CID 174608051
1-(chloromethyl)-4-(4-methoxyphenyl)imidazole
CID 53415933

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(4-methoxyphenyl)methyl]-4-methylimidazole?
The IUPAC name of ethane;1-[(4-methoxyphenyl)methyl]-4-methylimidazole (CID 144619919) is ethane;1-[(4-methoxyphenyl)methyl]-4-methylimidazole.
What is the SMILES notation for ethane;1-[(4-methoxyphenyl)methyl]-4-methylimidazole?
The canonical SMILES for ethane;1-[(4-methoxyphenyl)methyl]-4-methylimidazole is CC.COc1ccc(Cn2cnc(C)c2)cc1.
What is the InChIKey of ethane;1-[(4-methoxyphenyl)methyl]-4-methylimidazole?
The InChIKey is RJJFGCZKJFETLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.C2H6/c1-10-7-14(9-13-10)8-11-3-5-12(15-2)6-4-11;1-2/h3-7,9H,8H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[(4-methoxyphenyl)methyl]-4-methylimidazole?
ethane;1-[(4-methoxyphenyl)methyl]-4-methylimidazole has a molecular weight of 232.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(4-methoxyphenyl)methyl]-4-methylimidazole is sourced from PubChem (CID 144619919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).