1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-(4-pyrazol-1-ylphenyl)propan-2-ol

C20H26N4O — CID 25026446

IUPAC1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-(4-pyrazol-1-ylphenyl)propan-2-ol
SMILESCC(C)(C)Cc1cnc(CC(C)(O)c2ccc(-n3cccn3)cc2)[nH]1
InChIInChI=1S/C20H26N4O/c1-19(2,3)12-16-14-21-18(23-16)13-20(4,25)15-6-8-17(9-7-15)24-11-5-10-22-24/h5-11,14,25H,12-13H2,1-4H3,(H,21,23)
InChIKeyDLQVEFMBHFLTJU-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.63
Rot. Bonds5

About 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-(4-pyrazol-1-ylphenyl)propan-2-ol

1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-(4-pyrazol-1-ylphenyl)propan-2-ol (PubChem CID 25026446) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-(4-pyrazol-1-ylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-(4-pyrazol-1-ylphenyl)propan-2-ol
PubChem CID25026446
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-(4-pyrazol-1-ylphenyl)propan-2-ol
SMILESCC(C)(C)Cc1cnc(CC(C)(O)c2ccc(-n3cccn3)cc2)[nH]1
InChIInChI=1S/C20H26N4O/c1-19(2,3)12-16-14-21-18(23-16)13-20(4,25)15-6-8-17(9-7-15)24-11-5-10-22-24/h5-11,14,25H,12-13H2,1-4H3,(H,21,23)
InChIKeyDLQVEFMBHFLTJU-UHFFFAOYSA-N
XLogP3.63
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.63
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-(4-pyrazol-1-ylphenyl)propan-2-ol?
The IUPAC name of 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-(4-pyrazol-1-ylphenyl)propan-2-ol (CID 25026446) is 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-(4-pyrazol-1-ylphenyl)propan-2-ol.
What is the SMILES notation for 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-(4-pyrazol-1-ylphenyl)propan-2-ol?
The canonical SMILES for 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-(4-pyrazol-1-ylphenyl)propan-2-ol is CC(C)(C)Cc1cnc(CC(C)(O)c2ccc(-n3cccn3)cc2)[nH]1.
What is the InChIKey of 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-(4-pyrazol-1-ylphenyl)propan-2-ol?
The InChIKey is DLQVEFMBHFLTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-19(2,3)12-16-14-21-18(23-16)13-20(4,25)15-6-8-17(9-7-15)24-11-5-10-22-24/h5-11,14,25H,12-13H2,1-4H3,(H,21,23).
What are the key properties of 1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-(4-pyrazol-1-ylphenyl)propan-2-ol?
1-[5-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-(4-pyrazol-1-ylphenyl)propan-2-ol has a molecular weight of 338.46 g/mol, XLogP of 3.63, 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-(4-pyrazol-1-ylphenyl)propan-2-ol is sourced from PubChem (CID 25026446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).