[3-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-(2,4-difluorophenyl)imidazol-4-yl]methanamine

C19H17F4N3O — CID 58990914

IUPAC[3-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-(2,4-difluorophenyl)imidazol-4-yl]methanamine
SMILESCC(F)(F)Oc1ccccc1Cn1cnc(-c2ccc(F)cc2F)c1CN
InChIInChI=1S/C19H17F4N3O/c1-19(22,23)27-17-5-3-2-4-12(17)10-26-11-25-18(16(26)9-24)14-7-6-13(20)8-15(14)21/h2-8,11H,9-10,24H2,1H3
InChIKeyYCILFILJXJQULL-UHFFFAOYSA-N
MW379.36 g/mol
LogP4.33
Rot. Bonds6

About [3-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-(2,4-difluorophenyl)imidazol-4-yl]methanamine

[3-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-(2,4-difluorophenyl)imidazol-4-yl]methanamine (PubChem CID 58990914) has the molecular formula C19H17F4N3O and a molecular weight of 379.36 g/mol. Its IUPAC name is [3-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-(2,4-difluorophenyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-(2,4-difluorophenyl)imidazol-4-yl]methanamine
PubChem CID58990914
Molecular FormulaC19H17F4N3O
Molecular Weight379.36 g/mol
Exact Mass379.13
IUPAC Name[3-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-(2,4-difluorophenyl)imidazol-4-yl]methanamine
SMILESCC(F)(F)Oc1ccccc1Cn1cnc(-c2ccc(F)cc2F)c1CN
InChIInChI=1S/C19H17F4N3O/c1-19(22,23)27-17-5-3-2-4-12(17)10-26-11-25-18(16(26)9-24)14-7-6-13(20)8-15(14)21/h2-8,11H,9-10,24H2,1H3
InChIKeyYCILFILJXJQULL-UHFFFAOYSA-N
XLogP4.33
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-(2,4-difluorophenyl)imidazol-4-yl]methanamine?
The IUPAC name of [3-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-(2,4-difluorophenyl)imidazol-4-yl]methanamine (CID 58990914) is [3-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-(2,4-difluorophenyl)imidazol-4-yl]methanamine.
What is the SMILES notation for [3-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-(2,4-difluorophenyl)imidazol-4-yl]methanamine?
The canonical SMILES for [3-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-(2,4-difluorophenyl)imidazol-4-yl]methanamine is CC(F)(F)Oc1ccccc1Cn1cnc(-c2ccc(F)cc2F)c1CN.
What is the InChIKey of [3-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-(2,4-difluorophenyl)imidazol-4-yl]methanamine?
The InChIKey is YCILFILJXJQULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N3O/c1-19(22,23)27-17-5-3-2-4-12(17)10-26-11-25-18(16(26)9-24)14-7-6-13(20)8-15(14)21/h2-8,11H,9-10,24H2,1H3.
What are the key properties of [3-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-(2,4-difluorophenyl)imidazol-4-yl]methanamine?
[3-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-(2,4-difluorophenyl)imidazol-4-yl]methanamine has a molecular weight of 379.36 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(1,1-difluoroethoxy)phenyl]methyl]-5-(2,4-difluorophenyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 58990914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).