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

C23H28FN3O — CID 59161940

IUPAC1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)-2-methylphenyl]propan-2-ol
SMILESCc1cc(-c2ccc(F)cn2)ccc1C(C)(O)Cc1ncc(CC(C)(C)C)[nH]1
InChIInChI=1S/C23H28FN3O/c1-15-10-16(20-9-7-17(24)13-25-20)6-8-19(15)23(5,28)12-21-26-14-18(27-21)11-22(2,3)4/h6-10,13-14,28H,11-12H2,1-5H3,(H,26,27)
InChIKeyRRXUMKCIKHAHQF-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.96
Rot. Bonds5

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

1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)-2-methylphenyl]propan-2-ol (PubChem CID 59161940) has the molecular formula C23H28FN3O and a molecular weight of 381.50 g/mol. Its IUPAC name is 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)-2-methylphenyl]propan-2-ol.

Molecular Properties

Compound Name1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)-2-methylphenyl]propan-2-ol
PubChem CID59161940
Molecular FormulaC23H28FN3O
Molecular Weight381.50 g/mol
Exact Mass381.22
IUPAC Name1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)-2-methylphenyl]propan-2-ol
SMILESCc1cc(-c2ccc(F)cn2)ccc1C(C)(O)Cc1ncc(CC(C)(C)C)[nH]1
InChIInChI=1S/C23H28FN3O/c1-15-10-16(20-9-7-17(24)13-25-20)6-8-19(15)23(5,28)12-21-26-14-18(27-21)11-22(2,3)4/h6-10,13-14,28H,11-12H2,1-5H3,(H,26,27)
InChIKeyRRXUMKCIKHAHQF-UHFFFAOYSA-N
XLogP4.96
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.96
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)-2-methylphenyl]propan-2-ol?
The IUPAC name of 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)-2-methylphenyl]propan-2-ol (CID 59161940) is 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)-2-methylphenyl]propan-2-ol.
What is the SMILES notation for 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)-2-methylphenyl]propan-2-ol?
The canonical SMILES for 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)-2-methylphenyl]propan-2-ol is Cc1cc(-c2ccc(F)cn2)ccc1C(C)(O)Cc1ncc(CC(C)(C)C)[nH]1.
What is the InChIKey of 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)-2-methylphenyl]propan-2-ol?
The InChIKey is RRXUMKCIKHAHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O/c1-15-10-16(20-9-7-17(24)13-25-20)6-8-19(15)23(5,28)12-21-26-14-18(27-21)11-22(2,3)4/h6-10,13-14,28H,11-12H2,1-5H3,(H,26,27).
What are the key properties of 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)-2-methylphenyl]propan-2-ol?
1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(5-fluoro-2-pyridinyl)-2-methylphenyl]propan-2-ol has a molecular weight of 381.50 g/mol, XLogP of 4.96, 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)-2-methylphenyl]propan-2-ol is sourced from PubChem (CID 59161940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).