1-(5-tert-butyl-1H-imidazol-2-yl)-2-[2-fluoro-4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol

C21H23F2N3O — CID 59161979

IUPAC1-(5-tert-butyl-1H-imidazol-2-yl)-2-[2-fluoro-4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol
SMILESCC(C)(C)c1cnc(CC(C)(O)c2ccc(-c3ccc(F)cn3)cc2F)[nH]1
InChIInChI=1S/C21H23F2N3O/c1-20(2,3)18-12-25-19(26-18)10-21(4,27)15-7-5-13(9-16(15)23)17-8-6-14(22)11-24-17/h5-9,11-12,27H,10H2,1-4H3,(H,25,26)
InChIKeyMQZYBSZQFLAVQM-UHFFFAOYSA-N
MW371.43 g/mol
LogP4.50
Rot. Bonds4

About 1-(5-tert-butyl-1H-imidazol-2-yl)-2-[2-fluoro-4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol

1-(5-tert-butyl-1H-imidazol-2-yl)-2-[2-fluoro-4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol (PubChem CID 59161979) has the molecular formula C21H23F2N3O and a molecular weight of 371.43 g/mol. Its IUPAC name is 1-(5-tert-butyl-1H-imidazol-2-yl)-2-[2-fluoro-4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-(5-tert-butyl-1H-imidazol-2-yl)-2-[2-fluoro-4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol
PubChem CID59161979
Molecular FormulaC21H23F2N3O
Molecular Weight371.43 g/mol
Exact Mass371.18
IUPAC Name1-(5-tert-butyl-1H-imidazol-2-yl)-2-[2-fluoro-4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol
SMILESCC(C)(C)c1cnc(CC(C)(O)c2ccc(-c3ccc(F)cn3)cc2F)[nH]1
InChIInChI=1S/C21H23F2N3O/c1-20(2,3)18-12-25-19(26-18)10-21(4,27)15-7-5-13(9-16(15)23)17-8-6-14(22)11-24-17/h5-9,11-12,27H,10H2,1-4H3,(H,25,26)
InChIKeyMQZYBSZQFLAVQM-UHFFFAOYSA-N
XLogP4.50
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(5-tert-butyl-1H-imidazol-2-yl)-2-[2-fluoro-4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol with MolForge

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Related Compounds

(8E)-2-[2-fluoro-4-(5-fluoro-2-pyridinyl)phenyl]-4-iodo-9,11-dimethyldodeca-8,10-dien-2-ol
CID 89271848
1,1-difluoro-3-[5-(3-fluoro-3-methylbutan-2-yl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol
CID 68667977
5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]pyridine
CID 130181966
3-[4-(2,2-dimethylpropyl)-5-methyl-1H-imidazol-2-yl]-1,1-difluoro-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol
CID 68668292
5-tert-butyl-2-(fluoromethyl)-1H-imidazole
CID 166928493
2-(4-chloro-2-fluorophenyl)-1-(4-fluorophenyl)propan-2-ol
CID 114833204
1-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)propan-2-ol
CID 114832951
2-(2,4-difluorophenyl)propane-1,2-diol
CID 22107607
(2R,3S)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)-3-[4-(1H-1,2,4-triazol-5-yl)phenyl]butan-2-ol
CID 57186826
1-amino-2-(2,4-difluorophenyl)propan-2-ol;hydrochloride
CID 54593269
1-(2,5-difluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 83125413
1-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1H-imidazol-2-yl)-2-[2-fluoro-4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol?
The IUPAC name of 1-(5-tert-butyl-1H-imidazol-2-yl)-2-[2-fluoro-4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol (CID 59161979) is 1-(5-tert-butyl-1H-imidazol-2-yl)-2-[2-fluoro-4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-(5-tert-butyl-1H-imidazol-2-yl)-2-[2-fluoro-4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol?
The canonical SMILES for 1-(5-tert-butyl-1H-imidazol-2-yl)-2-[2-fluoro-4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol is CC(C)(C)c1cnc(CC(C)(O)c2ccc(-c3ccc(F)cn3)cc2F)[nH]1.
What is the InChIKey of 1-(5-tert-butyl-1H-imidazol-2-yl)-2-[2-fluoro-4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol?
The InChIKey is MQZYBSZQFLAVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O/c1-20(2,3)18-12-25-19(26-18)10-21(4,27)15-7-5-13(9-16(15)23)17-8-6-14(22)11-24-17/h5-9,11-12,27H,10H2,1-4H3,(H,25,26).
What are the key properties of 1-(5-tert-butyl-1H-imidazol-2-yl)-2-[2-fluoro-4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol?
1-(5-tert-butyl-1H-imidazol-2-yl)-2-[2-fluoro-4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol has a molecular weight of 371.43 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1H-imidazol-2-yl)-2-[2-fluoro-4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol is sourced from PubChem (CID 59161979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).