1-[4-(dimethoxymethyl)-2-phenylphenyl]imidazole

C18H18N2O2 — CID 141225609

IUPAC1-[4-(dimethoxymethyl)-2-phenylphenyl]imidazole
SMILESCOC(OC)c1ccc(-n2ccnc2)c(-c2ccccc2)c1
InChIInChI=1S/C18H18N2O2/c1-21-18(22-2)15-8-9-17(20-11-10-19-13-20)16(12-15)14-6-4-3-5-7-14/h3-13,18H,1-2H3
InChIKeyPPTBITJZLORKSQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.83
Rot. Bonds5

About 1-[4-(dimethoxymethyl)-2-phenylphenyl]imidazole

1-[4-(dimethoxymethyl)-2-phenylphenyl]imidazole (PubChem CID 141225609) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[4-(dimethoxymethyl)-2-phenylphenyl]imidazole.

Molecular Properties

Compound Name1-[4-(dimethoxymethyl)-2-phenylphenyl]imidazole
PubChem CID141225609
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name1-[4-(dimethoxymethyl)-2-phenylphenyl]imidazole
SMILESCOC(OC)c1ccc(-n2ccnc2)c(-c2ccccc2)c1
InChIInChI=1S/C18H18N2O2/c1-21-18(22-2)15-8-9-17(20-11-10-19-13-20)16(12-15)14-6-4-3-5-7-14/h3-13,18H,1-2H3
InChIKeyPPTBITJZLORKSQ-UHFFFAOYSA-N
XLogP3.83
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-methoxyphenyl)phenyl]imidazole
CID 57072963
1-[2-fluoro-4-(1-methoxyethyl)phenyl]imidazole
CID 155472277
1-(2-methoxy-4-propan-2-ylphenyl)imidazole
CID 59583786
1-(2-naphthalen-2-ylphenyl)imidazole
CID 90911768
7-imidazol-1-yl-2-phenylquinolin-8-amine
CID 141127219
2-(3-fluoro-4-imidazol-1-ylphenyl)-2-hydroxyacetic acid
CID 117344197
2-(3-chloro-4-imidazol-1-ylphenyl)propan-1-ol
CID 117345846
1-[2,3-di(imidazol-1-yl)phenyl]imidazole
CID 141435532
5,8-di(imidazol-1-yl)quinoxaline
CID 132507181
2-(3-chloro-4-imidazol-1-ylphenyl)propanoic acid
CID 117380058
1-[4-[imidazol-1-yl(phenyl)methyl]phenyl]imidazole
CID 14594096
3-(3-bromo-4-imidazol-1-ylphenyl)butan-1-amine
CID 117474556

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethoxymethyl)-2-phenylphenyl]imidazole?
The IUPAC name of 1-[4-(dimethoxymethyl)-2-phenylphenyl]imidazole (CID 141225609) is 1-[4-(dimethoxymethyl)-2-phenylphenyl]imidazole.
What is the SMILES notation for 1-[4-(dimethoxymethyl)-2-phenylphenyl]imidazole?
The canonical SMILES for 1-[4-(dimethoxymethyl)-2-phenylphenyl]imidazole is COC(OC)c1ccc(-n2ccnc2)c(-c2ccccc2)c1.
What is the InChIKey of 1-[4-(dimethoxymethyl)-2-phenylphenyl]imidazole?
The InChIKey is PPTBITJZLORKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-21-18(22-2)15-8-9-17(20-11-10-19-13-20)16(12-15)14-6-4-3-5-7-14/h3-13,18H,1-2H3.
What are the key properties of 1-[4-(dimethoxymethyl)-2-phenylphenyl]imidazole?
1-[4-(dimethoxymethyl)-2-phenylphenyl]imidazole has a molecular weight of 294.35 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethoxymethyl)-2-phenylphenyl]imidazole is sourced from PubChem (CID 141225609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).