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

C20H26N4 — CID 170993784

IUPAC5-(2,2-dimethylbutyl)-2-[2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]-1H-imidazole
SMILESCCC(C)(C)Cc1cnc(CCc2ccc(-c3cn[nH]c3)cc2)[nH]1
InChIInChI=1S/C20H26N4/c1-4-20(2,3)11-18-14-21-19(24-18)10-7-15-5-8-16(9-6-15)17-12-22-23-13-17/h5-6,8-9,12-14H,4,7,10-11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyYARBIWFGLOELFN-UHFFFAOYSA-N
MW322.46 g/mol
LogP4.56
Rot. Bonds7

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

5-(2,2-dimethylbutyl)-2-[2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]-1H-imidazole (PubChem CID 170993784) 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-(1H-pyrazol-4-yl)phenyl]ethyl]-1H-imidazole.

Molecular Properties

Compound Name5-(2,2-dimethylbutyl)-2-[2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]-1H-imidazole
PubChem CID170993784
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name5-(2,2-dimethylbutyl)-2-[2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]-1H-imidazole
SMILESCCC(C)(C)Cc1cnc(CCc2ccc(-c3cn[nH]c3)cc2)[nH]1
InChIInChI=1S/C20H26N4/c1-4-20(2,3)11-18-14-21-19(24-18)10-7-15-5-8-16(9-6-15)17-12-22-23-13-17/h5-6,8-9,12-14H,4,7,10-11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyYARBIWFGLOELFN-UHFFFAOYSA-N
XLogP4.56
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylbutyl)-2-[2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]-1H-imidazole?
The IUPAC name of 5-(2,2-dimethylbutyl)-2-[2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]-1H-imidazole (CID 170993784) is 5-(2,2-dimethylbutyl)-2-[2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]-1H-imidazole.
What is the SMILES notation for 5-(2,2-dimethylbutyl)-2-[2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]-1H-imidazole?
The canonical SMILES for 5-(2,2-dimethylbutyl)-2-[2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]-1H-imidazole is CCC(C)(C)Cc1cnc(CCc2ccc(-c3cn[nH]c3)cc2)[nH]1.
What is the InChIKey of 5-(2,2-dimethylbutyl)-2-[2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]-1H-imidazole?
The InChIKey is YARBIWFGLOELFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-4-20(2,3)11-18-14-21-19(24-18)10-7-15-5-8-16(9-6-15)17-12-22-23-13-17/h5-6,8-9,12-14H,4,7,10-11H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 5-(2,2-dimethylbutyl)-2-[2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]-1H-imidazole?
5-(2,2-dimethylbutyl)-2-[2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]-1H-imidazole has a molecular weight of 322.46 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylbutyl)-2-[2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]-1H-imidazole is sourced from PubChem (CID 170993784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).