acetic acid;1-ethyl-4-[[2-[5-(4-methoxyphenyl)furan-2-yl]imidazol-1-yl]methyl]imidazole

C24H28N4O6 — CID 163334431

IUPACacetic acid;1-ethyl-4-[[2-[5-(4-methoxyphenyl)furan-2-yl]imidazol-1-yl]methyl]imidazole
SMILESCC(=O)O.CC(=O)O.CCn1cnc(Cn2ccnc2-c2ccc(-c3ccc(OC)cc3)o2)c1
InChIInChI=1S/C20H20N4O2.2C2H4O2/c1-3-23-12-16(22-14-23)13-24-11-10-21-20(24)19-9-8-18(26-19)15-4-6-17(25-2)7-5-15;2*1-2(3)4/h4-12,14H,3,13H2,1-2H3;2*1H3,(H,3,4)
InChIKeyNIRJRVANRIJCFI-UHFFFAOYSA-N
MW468.51 g/mol
LogP4.27
Rot. Bonds6

About acetic acid;1-ethyl-4-[[2-[5-(4-methoxyphenyl)furan-2-yl]imidazol-1-yl]methyl]imidazole

acetic acid;1-ethyl-4-[[2-[5-(4-methoxyphenyl)furan-2-yl]imidazol-1-yl]methyl]imidazole (PubChem CID 163334431) has the molecular formula C24H28N4O6 and a molecular weight of 468.51 g/mol. Its IUPAC name is acetic acid;1-ethyl-4-[[2-[5-(4-methoxyphenyl)furan-2-yl]imidazol-1-yl]methyl]imidazole.

Molecular Properties

Compound Nameacetic acid;1-ethyl-4-[[2-[5-(4-methoxyphenyl)furan-2-yl]imidazol-1-yl]methyl]imidazole
PubChem CID163334431
Molecular FormulaC24H28N4O6
Molecular Weight468.51 g/mol
Exact Mass468.20
IUPAC Nameacetic acid;1-ethyl-4-[[2-[5-(4-methoxyphenyl)furan-2-yl]imidazol-1-yl]methyl]imidazole
SMILESCC(=O)O.CC(=O)O.CCn1cnc(Cn2ccnc2-c2ccc(-c3ccc(OC)cc3)o2)c1
InChIInChI=1S/C20H20N4O2.2C2H4O2/c1-3-23-12-16(22-14-23)13-24-11-10-21-20(24)19-9-8-18(26-19)15-4-6-17(25-2)7-5-15;2*1-2(3)4/h4-12,14H,3,13H2,1-2H3;2*1H3,(H,3,4)
InChIKeyNIRJRVANRIJCFI-UHFFFAOYSA-N
XLogP4.27
TPSA132.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-ethyl-4-[[2-[5-(4-methoxyphenyl)furan-2-yl]imidazol-1-yl]methyl]imidazole
CID 154820768
4-[[2-(4-methoxyphenyl)imidazol-1-yl]methyl]pyrimidine
CID 56716138
1-ethyl-2-(6-methoxy-1-benzofuran-2-yl)imidazole;hydrochloride
CID 3073611
3-[2-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]imidazol-1-yl]propan-1-ol
CID 166612472
1-(1-ethylimidazol-4-yl)-3-(4-methoxyphenyl)propan-1-one
CID 114272870
2-(4-methoxyphenyl)-1-(1-propylimidazol-2-yl)ethanone
CID 63977114
2-(4-methoxyphenyl)-5-methylfuran
CID 11171456
[5-(4-methoxyphenyl)furan-2-yl] acetate
CID 56931214
3-[5-(4-methoxyphenyl)furan-2-yl]prop-2-enoic acid
CID 776100
2-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560728
2-[[5-[5-(4-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 118480063
1-[[5-[5-(4-methoxyphenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
CID 123215802

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-ethyl-4-[[2-[5-(4-methoxyphenyl)furan-2-yl]imidazol-1-yl]methyl]imidazole?
The IUPAC name of acetic acid;1-ethyl-4-[[2-[5-(4-methoxyphenyl)furan-2-yl]imidazol-1-yl]methyl]imidazole (CID 163334431) is acetic acid;1-ethyl-4-[[2-[5-(4-methoxyphenyl)furan-2-yl]imidazol-1-yl]methyl]imidazole.
What is the SMILES notation for acetic acid;1-ethyl-4-[[2-[5-(4-methoxyphenyl)furan-2-yl]imidazol-1-yl]methyl]imidazole?
The canonical SMILES for acetic acid;1-ethyl-4-[[2-[5-(4-methoxyphenyl)furan-2-yl]imidazol-1-yl]methyl]imidazole is CC(=O)O.CC(=O)O.CCn1cnc(Cn2ccnc2-c2ccc(-c3ccc(OC)cc3)o2)c1.
What is the InChIKey of acetic acid;1-ethyl-4-[[2-[5-(4-methoxyphenyl)furan-2-yl]imidazol-1-yl]methyl]imidazole?
The InChIKey is NIRJRVANRIJCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2.2C2H4O2/c1-3-23-12-16(22-14-23)13-24-11-10-21-20(24)19-9-8-18(26-19)15-4-6-17(25-2)7-5-15;2*1-2(3)4/h4-12,14H,3,13H2,1-2H3;2*1H3,(H,3,4).
What are the key properties of acetic acid;1-ethyl-4-[[2-[5-(4-methoxyphenyl)furan-2-yl]imidazol-1-yl]methyl]imidazole?
acetic acid;1-ethyl-4-[[2-[5-(4-methoxyphenyl)furan-2-yl]imidazol-1-yl]methyl]imidazole has a molecular weight of 468.51 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-ethyl-4-[[2-[5-(4-methoxyphenyl)furan-2-yl]imidazol-1-yl]methyl]imidazole is sourced from PubChem (CID 163334431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).