4-[[[5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]amino]methyl]-2-methoxyphenol

C20H22FN3O3 — CID 3284600

IUPAC4-[[[5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]amino]methyl]-2-methoxyphenol
SMILESCOCCn1c(-c2ccc(F)cc2)cnc1NCc1ccc(O)c(OC)c1
InChIInChI=1S/C20H22FN3O3/c1-26-10-9-24-17(15-4-6-16(21)7-5-15)13-23-20(24)22-12-14-3-8-18(25)19(11-14)27-2/h3-8,11,13,25H,9-10,12H2,1-2H3,(H,22,23)
InChIKeyWHVWCARIWXXAPQ-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.66
Rot. Bonds8

About 4-[[[5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]amino]methyl]-2-methoxyphenol

4-[[[5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]amino]methyl]-2-methoxyphenol (PubChem CID 3284600) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 4-[[[5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[[5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]amino]methyl]-2-methoxyphenol
PubChem CID3284600
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name4-[[[5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]amino]methyl]-2-methoxyphenol
SMILESCOCCn1c(-c2ccc(F)cc2)cnc1NCc1ccc(O)c(OC)c1
InChIInChI=1S/C20H22FN3O3/c1-26-10-9-24-17(15-4-6-16(21)7-5-15)13-23-20(24)22-12-14-3-8-18(25)19(11-14)27-2/h3-8,11,13,25H,9-10,12H2,1-2H3,(H,22,23)
InChIKeyWHVWCARIWXXAPQ-UHFFFAOYSA-N
XLogP3.66
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[[5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]amino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[[5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]amino]methyl]-2-methoxyphenol (CID 3284600) is 4-[[[5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[[5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]amino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[[5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]amino]methyl]-2-methoxyphenol is COCCn1c(-c2ccc(F)cc2)cnc1NCc1ccc(O)c(OC)c1.
What is the InChIKey of 4-[[[5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]amino]methyl]-2-methoxyphenol?
The InChIKey is WHVWCARIWXXAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-26-10-9-24-17(15-4-6-16(21)7-5-15)13-23-20(24)22-12-14-3-8-18(25)19(11-14)27-2/h3-8,11,13,25H,9-10,12H2,1-2H3,(H,22,23).
What are the key properties of 4-[[[5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]amino]methyl]-2-methoxyphenol?
4-[[[5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]amino]methyl]-2-methoxyphenol has a molecular weight of 371.41 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[5-(4-fluorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 3284600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).