4-[5-(3,5-dimethoxyphenyl)-1H-imidazol-4-yl]-2,6-difluoro-N,N-dimethylaniline

C19H19F2N3O2 — CID 90115310

IUPAC4-[5-(3,5-dimethoxyphenyl)-1H-imidazol-4-yl]-2,6-difluoro-N,N-dimethylaniline
SMILESCOc1cc(OC)cc(-c2[nH]cnc2-c2cc(F)c(N(C)C)c(F)c2)c1
InChIInChI=1S/C19H19F2N3O2/c1-24(2)19-15(20)7-12(8-16(19)21)18-17(22-10-23-18)11-5-13(25-3)9-14(6-11)26-4/h5-10H,1-4H3,(H,22,23)
InChIKeyLXOKZEIPNYOBBK-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.11
Rot. Bonds5

About 4-[5-(3,5-dimethoxyphenyl)-1H-imidazol-4-yl]-2,6-difluoro-N,N-dimethylaniline

4-[5-(3,5-dimethoxyphenyl)-1H-imidazol-4-yl]-2,6-difluoro-N,N-dimethylaniline (PubChem CID 90115310) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is 4-[5-(3,5-dimethoxyphenyl)-1H-imidazol-4-yl]-2,6-difluoro-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[5-(3,5-dimethoxyphenyl)-1H-imidazol-4-yl]-2,6-difluoro-N,N-dimethylaniline
PubChem CID90115310
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name4-[5-(3,5-dimethoxyphenyl)-1H-imidazol-4-yl]-2,6-difluoro-N,N-dimethylaniline
SMILESCOc1cc(OC)cc(-c2[nH]cnc2-c2cc(F)c(N(C)C)c(F)c2)c1
InChIInChI=1S/C19H19F2N3O2/c1-24(2)19-15(20)7-12(8-16(19)21)18-17(22-10-23-18)11-5-13(25-3)9-14(6-11)26-4/h5-10H,1-4H3,(H,22,23)
InChIKeyLXOKZEIPNYOBBK-UHFFFAOYSA-N
XLogP4.11
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,5-dimethoxyphenyl)-1H-imidazol-4-yl]-2,6-difluoro-N,N-dimethylaniline?
The IUPAC name of 4-[5-(3,5-dimethoxyphenyl)-1H-imidazol-4-yl]-2,6-difluoro-N,N-dimethylaniline (CID 90115310) is 4-[5-(3,5-dimethoxyphenyl)-1H-imidazol-4-yl]-2,6-difluoro-N,N-dimethylaniline.
What is the SMILES notation for 4-[5-(3,5-dimethoxyphenyl)-1H-imidazol-4-yl]-2,6-difluoro-N,N-dimethylaniline?
The canonical SMILES for 4-[5-(3,5-dimethoxyphenyl)-1H-imidazol-4-yl]-2,6-difluoro-N,N-dimethylaniline is COc1cc(OC)cc(-c2[nH]cnc2-c2cc(F)c(N(C)C)c(F)c2)c1.
What is the InChIKey of 4-[5-(3,5-dimethoxyphenyl)-1H-imidazol-4-yl]-2,6-difluoro-N,N-dimethylaniline?
The InChIKey is LXOKZEIPNYOBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c1-24(2)19-15(20)7-12(8-16(19)21)18-17(22-10-23-18)11-5-13(25-3)9-14(6-11)26-4/h5-10H,1-4H3,(H,22,23).
What are the key properties of 4-[5-(3,5-dimethoxyphenyl)-1H-imidazol-4-yl]-2,6-difluoro-N,N-dimethylaniline?
4-[5-(3,5-dimethoxyphenyl)-1H-imidazol-4-yl]-2,6-difluoro-N,N-dimethylaniline has a molecular weight of 359.38 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,5-dimethoxyphenyl)-1H-imidazol-4-yl]-2,6-difluoro-N,N-dimethylaniline is sourced from PubChem (CID 90115310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).