5-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-(methoxymethyl)pyrimidine

C17H18N4O2 — CID 50980448

IUPAC5-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-(methoxymethyl)pyrimidine
SMILESCCOc1ccc(-c2cnc(-c3cnc(COC)nc3)[nH]2)cc1
InChIInChI=1S/C17H18N4O2/c1-3-23-14-6-4-12(5-7-14)15-10-20-17(21-15)13-8-18-16(11-22-2)19-9-13/h4-10H,3,11H2,1-2H3,(H,20,21)
InChIKeyZIBODZINVQPZDW-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.08
Rot. Bonds6

About 5-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-(methoxymethyl)pyrimidine

5-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-(methoxymethyl)pyrimidine (PubChem CID 50980448) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name5-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-(methoxymethyl)pyrimidine
PubChem CID50980448
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name5-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-(methoxymethyl)pyrimidine
SMILESCCOc1ccc(-c2cnc(-c3cnc(COC)nc3)[nH]2)cc1
InChIInChI=1S/C17H18N4O2/c1-3-23-14-6-4-12(5-7-14)15-10-20-17(21-15)13-8-18-16(11-22-2)19-9-13/h4-10H,3,11H2,1-2H3,(H,20,21)
InChIKeyZIBODZINVQPZDW-UHFFFAOYSA-N
XLogP3.08
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-(methoxymethyl)pyrimidine?
The IUPAC name of 5-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-(methoxymethyl)pyrimidine (CID 50980448) is 5-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-(methoxymethyl)pyrimidine.
What is the SMILES notation for 5-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-(methoxymethyl)pyrimidine?
The canonical SMILES for 5-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-(methoxymethyl)pyrimidine is CCOc1ccc(-c2cnc(-c3cnc(COC)nc3)[nH]2)cc1.
What is the InChIKey of 5-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-(methoxymethyl)pyrimidine?
The InChIKey is ZIBODZINVQPZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-3-23-14-6-4-12(5-7-14)15-10-20-17(21-15)13-8-18-16(11-22-2)19-9-13/h4-10H,3,11H2,1-2H3,(H,20,21).
What are the key properties of 5-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-(methoxymethyl)pyrimidine?
5-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-(methoxymethyl)pyrimidine has a molecular weight of 310.36 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-(methoxymethyl)pyrimidine is sourced from PubChem (CID 50980448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).