[1-(methoxymethyl)imidazol-2-yl]-bis(4-methoxyphenyl)methanol

C20H22N2O4 — CID 5094943

IUPAC[1-(methoxymethyl)imidazol-2-yl]-bis(4-methoxyphenyl)methanol
SMILESCOCn1ccnc1C(O)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H22N2O4/c1-24-14-22-13-12-21-19(22)20(23,15-4-8-17(25-2)9-5-15)16-6-10-18(26-3)11-7-16/h4-13,23H,14H2,1-3H3
InChIKeyYKXPRPUXOVYZFA-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.79
Rot. Bonds7

About [1-(methoxymethyl)imidazol-2-yl]-bis(4-methoxyphenyl)methanol

[1-(methoxymethyl)imidazol-2-yl]-bis(4-methoxyphenyl)methanol (PubChem CID 5094943) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is [1-(methoxymethyl)imidazol-2-yl]-bis(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name[1-(methoxymethyl)imidazol-2-yl]-bis(4-methoxyphenyl)methanol
PubChem CID5094943
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name[1-(methoxymethyl)imidazol-2-yl]-bis(4-methoxyphenyl)methanol
SMILESCOCn1ccnc1C(O)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H22N2O4/c1-24-14-22-13-12-21-19(22)20(23,15-4-8-17(25-2)9-5-15)16-6-10-18(26-3)11-7-16/h4-13,23H,14H2,1-3H3
InChIKeyYKXPRPUXOVYZFA-UHFFFAOYSA-N
XLogP2.79
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(methoxymethyl)imidazol-2-yl]-bis(4-methoxyphenyl)methanol?
The IUPAC name of [1-(methoxymethyl)imidazol-2-yl]-bis(4-methoxyphenyl)methanol (CID 5094943) is [1-(methoxymethyl)imidazol-2-yl]-bis(4-methoxyphenyl)methanol.
What is the SMILES notation for [1-(methoxymethyl)imidazol-2-yl]-bis(4-methoxyphenyl)methanol?
The canonical SMILES for [1-(methoxymethyl)imidazol-2-yl]-bis(4-methoxyphenyl)methanol is COCn1ccnc1C(O)(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of [1-(methoxymethyl)imidazol-2-yl]-bis(4-methoxyphenyl)methanol?
The InChIKey is YKXPRPUXOVYZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-24-14-22-13-12-21-19(22)20(23,15-4-8-17(25-2)9-5-15)16-6-10-18(26-3)11-7-16/h4-13,23H,14H2,1-3H3.
What are the key properties of [1-(methoxymethyl)imidazol-2-yl]-bis(4-methoxyphenyl)methanol?
[1-(methoxymethyl)imidazol-2-yl]-bis(4-methoxyphenyl)methanol has a molecular weight of 354.41 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methoxymethyl)imidazol-2-yl]-bis(4-methoxyphenyl)methanol is sourced from PubChem (CID 5094943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).