[5-[[4-methyl-5-[(4-phenylphenyl)methoxymethyl]imidazol-1-yl]methyl]furan-2-yl] hydrogen carbonate

C24H22N2O5 — CID 68823383

IUPAC[5-[[4-methyl-5-[(4-phenylphenyl)methoxymethyl]imidazol-1-yl]methyl]furan-2-yl] hydrogen carbonate
SMILESCc1ncn(Cc2ccc(OC(=O)O)o2)c1COCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H22N2O5/c1-17-22(26(16-25-17)13-21-11-12-23(30-21)31-24(27)28)15-29-14-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-12,16H,13-15H2,1H3,(H,27,28)
InChIKeyRROFPWVOUNCSPH-UHFFFAOYSA-N
MW418.45 g/mol
LogP5.27
Rot. Bonds8

About [5-[[4-methyl-5-[(4-phenylphenyl)methoxymethyl]imidazol-1-yl]methyl]furan-2-yl] hydrogen carbonate

[5-[[4-methyl-5-[(4-phenylphenyl)methoxymethyl]imidazol-1-yl]methyl]furan-2-yl] hydrogen carbonate (PubChem CID 68823383) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is [5-[[4-methyl-5-[(4-phenylphenyl)methoxymethyl]imidazol-1-yl]methyl]furan-2-yl] hydrogen carbonate.

Molecular Properties

Compound Name[5-[[4-methyl-5-[(4-phenylphenyl)methoxymethyl]imidazol-1-yl]methyl]furan-2-yl] hydrogen carbonate
PubChem CID68823383
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name[5-[[4-methyl-5-[(4-phenylphenyl)methoxymethyl]imidazol-1-yl]methyl]furan-2-yl] hydrogen carbonate
SMILESCc1ncn(Cc2ccc(OC(=O)O)o2)c1COCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H22N2O5/c1-17-22(26(16-25-17)13-21-11-12-23(30-21)31-24(27)28)15-29-14-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-12,16H,13-15H2,1H3,(H,27,28)
InChIKeyRROFPWVOUNCSPH-UHFFFAOYSA-N
XLogP5.27
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.45
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[[4-methyl-5-[(4-phenylphenyl)methoxymethyl]imidazol-1-yl]methyl]furan-2-yl] hydrogen carbonate?
The IUPAC name of [5-[[4-methyl-5-[(4-phenylphenyl)methoxymethyl]imidazol-1-yl]methyl]furan-2-yl] hydrogen carbonate (CID 68823383) is [5-[[4-methyl-5-[(4-phenylphenyl)methoxymethyl]imidazol-1-yl]methyl]furan-2-yl] hydrogen carbonate.
What is the SMILES notation for [5-[[4-methyl-5-[(4-phenylphenyl)methoxymethyl]imidazol-1-yl]methyl]furan-2-yl] hydrogen carbonate?
The canonical SMILES for [5-[[4-methyl-5-[(4-phenylphenyl)methoxymethyl]imidazol-1-yl]methyl]furan-2-yl] hydrogen carbonate is Cc1ncn(Cc2ccc(OC(=O)O)o2)c1COCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of [5-[[4-methyl-5-[(4-phenylphenyl)methoxymethyl]imidazol-1-yl]methyl]furan-2-yl] hydrogen carbonate?
The InChIKey is RROFPWVOUNCSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5/c1-17-22(26(16-25-17)13-21-11-12-23(30-21)31-24(27)28)15-29-14-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h2-12,16H,13-15H2,1H3,(H,27,28).
What are the key properties of [5-[[4-methyl-5-[(4-phenylphenyl)methoxymethyl]imidazol-1-yl]methyl]furan-2-yl] hydrogen carbonate?
[5-[[4-methyl-5-[(4-phenylphenyl)methoxymethyl]imidazol-1-yl]methyl]furan-2-yl] hydrogen carbonate has a molecular weight of 418.45 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-methyl-5-[(4-phenylphenyl)methoxymethyl]imidazol-1-yl]methyl]furan-2-yl] hydrogen carbonate is sourced from PubChem (CID 68823383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).