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

C20H24FN3OS — CID 59161997

IUPAC1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[5-(5-fluoro-2-pyridinyl)thiophen-2-yl]propan-2-ol
SMILESCC(C)(C)Cc1cnc(CC(C)(O)c2ccc(-c3ccc(F)cn3)s2)[nH]1
InChIInChI=1S/C20H24FN3OS/c1-19(2,3)9-14-12-23-18(24-14)10-20(4,25)17-8-7-16(26-17)15-6-5-13(21)11-22-15/h5-8,11-12,25H,9-10H2,1-4H3,(H,23,24)
InChIKeyUJSNEKNBYMZMTQ-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.71
Rot. Bonds5

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

1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[5-(5-fluoro-2-pyridinyl)thiophen-2-yl]propan-2-ol (PubChem CID 59161997) has the molecular formula C20H24FN3OS and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[5-(5-fluoro-2-pyridinyl)thiophen-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[5-(5-fluoro-2-pyridinyl)thiophen-2-yl]propan-2-ol
PubChem CID59161997
Molecular FormulaC20H24FN3OS
Molecular Weight373.50 g/mol
Exact Mass373.16
IUPAC Name1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[5-(5-fluoro-2-pyridinyl)thiophen-2-yl]propan-2-ol
SMILESCC(C)(C)Cc1cnc(CC(C)(O)c2ccc(-c3ccc(F)cn3)s2)[nH]1
InChIInChI=1S/C20H24FN3OS/c1-19(2,3)9-14-12-23-18(24-14)10-20(4,25)17-8-7-16(26-17)15-6-5-13(21)11-22-15/h5-8,11-12,25H,9-10H2,1-4H3,(H,23,24)
InChIKeyUJSNEKNBYMZMTQ-UHFFFAOYSA-N
XLogP4.71
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[5-(5-fluoro-2-pyridinyl)thiophen-2-yl]propan-2-ol?
The IUPAC name of 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[5-(5-fluoro-2-pyridinyl)thiophen-2-yl]propan-2-ol (CID 59161997) is 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[5-(5-fluoro-2-pyridinyl)thiophen-2-yl]propan-2-ol.
What is the SMILES notation for 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[5-(5-fluoro-2-pyridinyl)thiophen-2-yl]propan-2-ol?
The canonical SMILES for 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[5-(5-fluoro-2-pyridinyl)thiophen-2-yl]propan-2-ol is CC(C)(C)Cc1cnc(CC(C)(O)c2ccc(-c3ccc(F)cn3)s2)[nH]1.
What is the InChIKey of 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[5-(5-fluoro-2-pyridinyl)thiophen-2-yl]propan-2-ol?
The InChIKey is UJSNEKNBYMZMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3OS/c1-19(2,3)9-14-12-23-18(24-14)10-20(4,25)17-8-7-16(26-17)15-6-5-13(21)11-22-15/h5-8,11-12,25H,9-10H2,1-4H3,(H,23,24).
What are the key properties of 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[5-(5-fluoro-2-pyridinyl)thiophen-2-yl]propan-2-ol?
1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[5-(5-fluoro-2-pyridinyl)thiophen-2-yl]propan-2-ol has a molecular weight of 373.50 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[5-(5-fluoro-2-pyridinyl)thiophen-2-yl]propan-2-ol is sourced from PubChem (CID 59161997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).