2,4-difluoro-3-[3-[2-(naphthalen-1-ylamino)ethyl]imidazol-4-yl]phenol

C21H17F2N3O — CID 127046261

IUPAC2,4-difluoro-3-[3-[2-(naphthalen-1-ylamino)ethyl]imidazol-4-yl]phenol
SMILESOc1ccc(F)c(-c2cncn2CCNc2cccc3ccccc23)c1F
InChIInChI=1S/C21H17F2N3O/c22-16-8-9-19(27)21(23)20(16)18-12-24-13-26(18)11-10-25-17-7-3-5-14-4-1-2-6-15(14)17/h1-9,12-13,25,27H,10-11H2
InChIKeyBRURZZJETBMRGV-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.80
Rot. Bonds5

About 2,4-difluoro-3-[3-[2-(naphthalen-1-ylamino)ethyl]imidazol-4-yl]phenol

2,4-difluoro-3-[3-[2-(naphthalen-1-ylamino)ethyl]imidazol-4-yl]phenol (PubChem CID 127046261) has the molecular formula C21H17F2N3O and a molecular weight of 365.38 g/mol. Its IUPAC name is 2,4-difluoro-3-[3-[2-(naphthalen-1-ylamino)ethyl]imidazol-4-yl]phenol.

Molecular Properties

Compound Name2,4-difluoro-3-[3-[2-(naphthalen-1-ylamino)ethyl]imidazol-4-yl]phenol
PubChem CID127046261
Molecular FormulaC21H17F2N3O
Molecular Weight365.38 g/mol
Exact Mass365.13
IUPAC Name2,4-difluoro-3-[3-[2-(naphthalen-1-ylamino)ethyl]imidazol-4-yl]phenol
SMILESOc1ccc(F)c(-c2cncn2CCNc2cccc3ccccc23)c1F
InChIInChI=1S/C21H17F2N3O/c22-16-8-9-19(27)21(23)20(16)18-12-24-13-26(18)11-10-25-17-7-3-5-14-4-1-2-6-15(14)17/h1-9,12-13,25,27H,10-11H2
InChIKeyBRURZZJETBMRGV-UHFFFAOYSA-N
XLogP4.80
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-[3-[2-(naphthalen-1-ylamino)ethyl]imidazol-4-yl]phenol?
The IUPAC name of 2,4-difluoro-3-[3-[2-(naphthalen-1-ylamino)ethyl]imidazol-4-yl]phenol (CID 127046261) is 2,4-difluoro-3-[3-[2-(naphthalen-1-ylamino)ethyl]imidazol-4-yl]phenol.
What is the SMILES notation for 2,4-difluoro-3-[3-[2-(naphthalen-1-ylamino)ethyl]imidazol-4-yl]phenol?
The canonical SMILES for 2,4-difluoro-3-[3-[2-(naphthalen-1-ylamino)ethyl]imidazol-4-yl]phenol is Oc1ccc(F)c(-c2cncn2CCNc2cccc3ccccc23)c1F.
What is the InChIKey of 2,4-difluoro-3-[3-[2-(naphthalen-1-ylamino)ethyl]imidazol-4-yl]phenol?
The InChIKey is BRURZZJETBMRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O/c22-16-8-9-19(27)21(23)20(16)18-12-24-13-26(18)11-10-25-17-7-3-5-14-4-1-2-6-15(14)17/h1-9,12-13,25,27H,10-11H2.
What are the key properties of 2,4-difluoro-3-[3-[2-(naphthalen-1-ylamino)ethyl]imidazol-4-yl]phenol?
2,4-difluoro-3-[3-[2-(naphthalen-1-ylamino)ethyl]imidazol-4-yl]phenol has a molecular weight of 365.38 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-[3-[2-(naphthalen-1-ylamino)ethyl]imidazol-4-yl]phenol is sourced from PubChem (CID 127046261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).