4-[furan-2-yl(methoxy)methyl]-1-[(4-methoxyphenyl)methyl]imidazole

C17H18N2O3 — CID 46185798

IUPAC4-[furan-2-yl(methoxy)methyl]-1-[(4-methoxyphenyl)methyl]imidazole
SMILESCOc1ccc(Cn2cnc(C(OC)c3ccco3)c2)cc1
InChIInChI=1S/C17H18N2O3/c1-20-14-7-5-13(6-8-14)10-19-11-15(18-12-19)17(21-2)16-4-3-9-22-16/h3-9,11-12,17H,10H2,1-2H3
InChIKeyLHUZCTBQIMADTI-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.27
Rot. Bonds6

About 4-[furan-2-yl(methoxy)methyl]-1-[(4-methoxyphenyl)methyl]imidazole

4-[furan-2-yl(methoxy)methyl]-1-[(4-methoxyphenyl)methyl]imidazole (PubChem CID 46185798) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-[furan-2-yl(methoxy)methyl]-1-[(4-methoxyphenyl)methyl]imidazole.

Molecular Properties

Compound Name4-[furan-2-yl(methoxy)methyl]-1-[(4-methoxyphenyl)methyl]imidazole
PubChem CID46185798
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name4-[furan-2-yl(methoxy)methyl]-1-[(4-methoxyphenyl)methyl]imidazole
SMILESCOc1ccc(Cn2cnc(C(OC)c3ccco3)c2)cc1
InChIInChI=1S/C17H18N2O3/c1-20-14-7-5-13(6-8-14)10-19-11-15(18-12-19)17(21-2)16-4-3-9-22-16/h3-9,11-12,17H,10H2,1-2H3
InChIKeyLHUZCTBQIMADTI-UHFFFAOYSA-N
XLogP3.27
TPSA49.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;1-[(4-methoxyphenyl)methyl]-4-methylimidazole
CID 144619919
1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721079
1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-N-methylmethanamine
CID 83894862
N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719431
2-(furan-2-yl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117164482
1-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 43178043
N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106719791
1-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420556
2-[(4-methoxyphenyl)methyl]benzotriazole
CID 3828598
2-methoxy-N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720459
methyl 3-(furan-2-yl)-4-(4-methoxyphenyl)butanoate
CID 54512248
2-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121460620

Frequently Asked Questions

What is the IUPAC name of 4-[furan-2-yl(methoxy)methyl]-1-[(4-methoxyphenyl)methyl]imidazole?
The IUPAC name of 4-[furan-2-yl(methoxy)methyl]-1-[(4-methoxyphenyl)methyl]imidazole (CID 46185798) is 4-[furan-2-yl(methoxy)methyl]-1-[(4-methoxyphenyl)methyl]imidazole.
What is the SMILES notation for 4-[furan-2-yl(methoxy)methyl]-1-[(4-methoxyphenyl)methyl]imidazole?
The canonical SMILES for 4-[furan-2-yl(methoxy)methyl]-1-[(4-methoxyphenyl)methyl]imidazole is COc1ccc(Cn2cnc(C(OC)c3ccco3)c2)cc1.
What is the InChIKey of 4-[furan-2-yl(methoxy)methyl]-1-[(4-methoxyphenyl)methyl]imidazole?
The InChIKey is LHUZCTBQIMADTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-20-14-7-5-13(6-8-14)10-19-11-15(18-12-19)17(21-2)16-4-3-9-22-16/h3-9,11-12,17H,10H2,1-2H3.
What are the key properties of 4-[furan-2-yl(methoxy)methyl]-1-[(4-methoxyphenyl)methyl]imidazole?
4-[furan-2-yl(methoxy)methyl]-1-[(4-methoxyphenyl)methyl]imidazole has a molecular weight of 298.34 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[furan-2-yl(methoxy)methyl]-1-[(4-methoxyphenyl)methyl]imidazole is sourced from PubChem (CID 46185798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).