3-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol

C17H14F2N2O — CID 82560208

IUPAC3-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol
SMILESOc1cccc(Cn2ccnc2Cc2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H14F2N2O/c18-15-5-4-12(9-16(15)19)10-17-20-6-7-21(17)11-13-2-1-3-14(22)8-13/h1-9,22H,10-11H2
InChIKeyUXWPLVVNQGYVRD-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.51
Rot. Bonds4

About 3-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol

3-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol (PubChem CID 82560208) has the molecular formula C17H14F2N2O and a molecular weight of 300.31 g/mol. Its IUPAC name is 3-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol
PubChem CID82560208
Molecular FormulaC17H14F2N2O
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name3-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol
SMILESOc1cccc(Cn2ccnc2Cc2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H14F2N2O/c18-15-5-4-12(9-16(15)19)10-17-20-6-7-21(17)11-13-2-1-3-14(22)8-13/h1-9,22H,10-11H2
InChIKeyUXWPLVVNQGYVRD-UHFFFAOYSA-N
XLogP3.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558352
3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]phenol
CID 82560019
4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenol
CID 82560108
3-[(2-tert-butylimidazol-1-yl)methyl]phenol
CID 82560371
3-[[2-[(2,3,4-trifluorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82558402
1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561963
[4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558174
4-[[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline
CID 82558654
[1-[(3-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methanol
CID 103038769
[3-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558173
3-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline
CID 82558720
[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methanamine
CID 62223886

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol?
The IUPAC name of 3-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol (CID 82560208) is 3-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol?
The canonical SMILES for 3-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol is Oc1cccc(Cn2ccnc2Cc2ccc(F)c(F)c2)c1.
What is the InChIKey of 3-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol?
The InChIKey is UXWPLVVNQGYVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O/c18-15-5-4-12(9-16(15)19)10-17-20-6-7-21(17)11-13-2-1-3-14(22)8-13/h1-9,22H,10-11H2.
What are the key properties of 3-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol?
3-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol has a molecular weight of 300.31 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol is sourced from PubChem (CID 82560208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).