5-tert-butyl-2-[2-imidazol-1-yl-2,5-dimethyl-5-(1H-pyrazol-5-yl)hexyl]-1H-imidazole

C21H32N6 — CID 126680914

IUPAC5-tert-butyl-2-[2-imidazol-1-yl-2,5-dimethyl-5-(1H-pyrazol-5-yl)hexyl]-1H-imidazole
SMILESCC(C)(C)c1cnc(CC(C)(CCC(C)(C)c2ccn[nH]2)n2ccnc2)[nH]1
InChIInChI=1S/C21H32N6/c1-19(2,3)17-14-23-18(25-17)13-21(6,27-12-11-22-15-27)9-8-20(4,5)16-7-10-24-26-16/h7,10-12,14-15H,8-9,13H2,1-6H3,(H,23,25)(H,24,26)
InChIKeyNSRXLMZOUHWNKT-UHFFFAOYSA-N
MW368.53 g/mol
LogP4.34
Rot. Bonds7

About 5-tert-butyl-2-[2-imidazol-1-yl-2,5-dimethyl-5-(1H-pyrazol-5-yl)hexyl]-1H-imidazole

5-tert-butyl-2-[2-imidazol-1-yl-2,5-dimethyl-5-(1H-pyrazol-5-yl)hexyl]-1H-imidazole (PubChem CID 126680914) has the molecular formula C21H32N6 and a molecular weight of 368.53 g/mol. Its IUPAC name is 5-tert-butyl-2-[2-imidazol-1-yl-2,5-dimethyl-5-(1H-pyrazol-5-yl)hexyl]-1H-imidazole.

Molecular Properties

Compound Name5-tert-butyl-2-[2-imidazol-1-yl-2,5-dimethyl-5-(1H-pyrazol-5-yl)hexyl]-1H-imidazole
PubChem CID126680914
Molecular FormulaC21H32N6
Molecular Weight368.53 g/mol
Exact Mass368.27
IUPAC Name5-tert-butyl-2-[2-imidazol-1-yl-2,5-dimethyl-5-(1H-pyrazol-5-yl)hexyl]-1H-imidazole
SMILESCC(C)(C)c1cnc(CC(C)(CCC(C)(C)c2ccn[nH]2)n2ccnc2)[nH]1
InChIInChI=1S/C21H32N6/c1-19(2,3)17-14-23-18(25-17)13-21(6,27-12-11-22-15-27)9-8-20(4,5)16-7-10-24-26-16/h7,10-12,14-15H,8-9,13H2,1-6H3,(H,23,25)(H,24,26)
InChIKeyNSRXLMZOUHWNKT-UHFFFAOYSA-N
XLogP4.34
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-tert-butyl-2-[2-imidazol-1-yl-2,5-dimethyl-5-(1H-pyrazol-5-yl)hexyl]-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[2-imidazol-1-yl-2,5-dimethyl-5-(1H-pyrazol-5-yl)hexyl]-1H-imidazole?
The IUPAC name of 5-tert-butyl-2-[2-imidazol-1-yl-2,5-dimethyl-5-(1H-pyrazol-5-yl)hexyl]-1H-imidazole (CID 126680914) is 5-tert-butyl-2-[2-imidazol-1-yl-2,5-dimethyl-5-(1H-pyrazol-5-yl)hexyl]-1H-imidazole.
What is the SMILES notation for 5-tert-butyl-2-[2-imidazol-1-yl-2,5-dimethyl-5-(1H-pyrazol-5-yl)hexyl]-1H-imidazole?
The canonical SMILES for 5-tert-butyl-2-[2-imidazol-1-yl-2,5-dimethyl-5-(1H-pyrazol-5-yl)hexyl]-1H-imidazole is CC(C)(C)c1cnc(CC(C)(CCC(C)(C)c2ccn[nH]2)n2ccnc2)[nH]1.
What is the InChIKey of 5-tert-butyl-2-[2-imidazol-1-yl-2,5-dimethyl-5-(1H-pyrazol-5-yl)hexyl]-1H-imidazole?
The InChIKey is NSRXLMZOUHWNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6/c1-19(2,3)17-14-23-18(25-17)13-21(6,27-12-11-22-15-27)9-8-20(4,5)16-7-10-24-26-16/h7,10-12,14-15H,8-9,13H2,1-6H3,(H,23,25)(H,24,26).
What are the key properties of 5-tert-butyl-2-[2-imidazol-1-yl-2,5-dimethyl-5-(1H-pyrazol-5-yl)hexyl]-1H-imidazole?
5-tert-butyl-2-[2-imidazol-1-yl-2,5-dimethyl-5-(1H-pyrazol-5-yl)hexyl]-1H-imidazole has a molecular weight of 368.53 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[2-imidazol-1-yl-2,5-dimethyl-5-(1H-pyrazol-5-yl)hexyl]-1H-imidazole is sourced from PubChem (CID 126680914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).