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

C22H26FN3O — CID 25026445

IUPAC1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol
SMILESCC(C)(C)Cc1cnc(CC(C)(O)c2ccc(-c3ccc(F)cn3)cc2)[nH]1
InChIInChI=1S/C22H26FN3O/c1-21(2,3)11-18-14-25-20(26-18)12-22(4,27)16-7-5-15(6-8-16)19-10-9-17(23)13-24-19/h5-10,13-14,27H,11-12H2,1-4H3,(H,25,26)
InChIKeySQDJZWNPXIGNRP-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.65
Rot. Bonds5

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

1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol (PubChem CID 25026445) has the molecular formula C22H26FN3O and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol
PubChem CID25026445
Molecular FormulaC22H26FN3O
Molecular Weight367.47 g/mol
Exact Mass367.21
IUPAC Name1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol
SMILESCC(C)(C)Cc1cnc(CC(C)(O)c2ccc(-c3ccc(F)cn3)cc2)[nH]1
InChIInChI=1S/C22H26FN3O/c1-21(2,3)11-18-14-25-20(26-18)12-22(4,27)16-7-5-15(6-8-16)19-10-9-17(23)13-24-19/h5-10,13-14,27H,11-12H2,1-4H3,(H,25,26)
InChIKeySQDJZWNPXIGNRP-UHFFFAOYSA-N
XLogP4.65
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol?
The IUPAC name of 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol (CID 25026445) is 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol?
The canonical SMILES for 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol is CC(C)(C)Cc1cnc(CC(C)(O)c2ccc(-c3ccc(F)cn3)cc2)[nH]1.
What is the InChIKey of 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol?
The InChIKey is SQDJZWNPXIGNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O/c1-21(2,3)11-18-14-25-20(26-18)12-22(4,27)16-7-5-15(6-8-16)19-10-9-17(23)13-24-19/h5-10,13-14,27H,11-12H2,1-4H3,(H,25,26).
What are the key properties of 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol?
1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol has a molecular weight of 367.47 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)phenyl]propan-2-ol is sourced from PubChem (CID 25026445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).