5-(2,2-dimethylbutyl)-2-[2-(4-pyrazol-1-ylphenyl)ethyl]-1H-imidazole

C20H26N4 — CID 25025862

IUPAC5-(2,2-dimethylbutyl)-2-[2-(4-pyrazol-1-ylphenyl)ethyl]-1H-imidazole
SMILESCCC(C)(C)Cc1cnc(CCc2ccc(-n3cccn3)cc2)[nH]1
InChIInChI=1S/C20H26N4/c1-4-20(2,3)14-17-15-21-19(23-17)11-8-16-6-9-18(10-7-16)24-13-5-12-22-24/h5-7,9-10,12-13,15H,4,8,11,14H2,1-3H3,(H,21,23)
InChIKeyIHPQVRDFFGMWRN-UHFFFAOYSA-N
MW322.46 g/mol
LogP4.36
Rot. Bonds7

About 5-(2,2-dimethylbutyl)-2-[2-(4-pyrazol-1-ylphenyl)ethyl]-1H-imidazole

5-(2,2-dimethylbutyl)-2-[2-(4-pyrazol-1-ylphenyl)ethyl]-1H-imidazole (PubChem CID 25025862) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is 5-(2,2-dimethylbutyl)-2-[2-(4-pyrazol-1-ylphenyl)ethyl]-1H-imidazole.

Molecular Properties

Compound Name5-(2,2-dimethylbutyl)-2-[2-(4-pyrazol-1-ylphenyl)ethyl]-1H-imidazole
PubChem CID25025862
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name5-(2,2-dimethylbutyl)-2-[2-(4-pyrazol-1-ylphenyl)ethyl]-1H-imidazole
SMILESCCC(C)(C)Cc1cnc(CCc2ccc(-n3cccn3)cc2)[nH]1
InChIInChI=1S/C20H26N4/c1-4-20(2,3)14-17-15-21-19(23-17)11-8-16-6-9-18(10-7-16)24-13-5-12-22-24/h5-7,9-10,12-13,15H,4,8,11,14H2,1-3H3,(H,21,23)
InChIKeyIHPQVRDFFGMWRN-UHFFFAOYSA-N
XLogP4.36
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylbutyl)-2-[2-(4-pyrazol-1-ylphenyl)ethyl]-1H-imidazole?
The IUPAC name of 5-(2,2-dimethylbutyl)-2-[2-(4-pyrazol-1-ylphenyl)ethyl]-1H-imidazole (CID 25025862) is 5-(2,2-dimethylbutyl)-2-[2-(4-pyrazol-1-ylphenyl)ethyl]-1H-imidazole.
What is the SMILES notation for 5-(2,2-dimethylbutyl)-2-[2-(4-pyrazol-1-ylphenyl)ethyl]-1H-imidazole?
The canonical SMILES for 5-(2,2-dimethylbutyl)-2-[2-(4-pyrazol-1-ylphenyl)ethyl]-1H-imidazole is CCC(C)(C)Cc1cnc(CCc2ccc(-n3cccn3)cc2)[nH]1.
What is the InChIKey of 5-(2,2-dimethylbutyl)-2-[2-(4-pyrazol-1-ylphenyl)ethyl]-1H-imidazole?
The InChIKey is IHPQVRDFFGMWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-4-20(2,3)14-17-15-21-19(23-17)11-8-16-6-9-18(10-7-16)24-13-5-12-22-24/h5-7,9-10,12-13,15H,4,8,11,14H2,1-3H3,(H,21,23).
What are the key properties of 5-(2,2-dimethylbutyl)-2-[2-(4-pyrazol-1-ylphenyl)ethyl]-1H-imidazole?
5-(2,2-dimethylbutyl)-2-[2-(4-pyrazol-1-ylphenyl)ethyl]-1H-imidazole has a molecular weight of 322.46 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylbutyl)-2-[2-(4-pyrazol-1-ylphenyl)ethyl]-1H-imidazole is sourced from PubChem (CID 25025862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).