2-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)butyl]-1H-imidazol-5-yl]propyl]-1H-imidazole

C22H34N6 — CID 139573863

IUPAC2-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)butyl]-1H-imidazol-5-yl]propyl]-1H-imidazole
SMILESCCC(C)(Cc1ncc(C(C)(C)Cc2cnc(C(C)(C)C)[nH]2)[nH]1)c1ccn[nH]1
InChIInChI=1S/C22H34N6/c1-8-22(7,16-9-10-25-28-16)12-18-23-14-17(27-18)21(5,6)11-15-13-24-19(26-15)20(2,3)4/h9-10,13-14H,8,11-12H2,1-7H3,(H,23,27)(H,24,26)(H,25,28)
InChIKeyPFOPBWFXQBTOKW-UHFFFAOYSA-N
MW382.56 g/mol
LogP4.58
Rot. Bonds7

About 2-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)butyl]-1H-imidazol-5-yl]propyl]-1H-imidazole

2-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)butyl]-1H-imidazol-5-yl]propyl]-1H-imidazole (PubChem CID 139573863) has the molecular formula C22H34N6 and a molecular weight of 382.56 g/mol. Its IUPAC name is 2-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)butyl]-1H-imidazol-5-yl]propyl]-1H-imidazole.

Molecular Properties

Compound Name2-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)butyl]-1H-imidazol-5-yl]propyl]-1H-imidazole
PubChem CID139573863
Molecular FormulaC22H34N6
Molecular Weight382.56 g/mol
Exact Mass382.28
IUPAC Name2-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)butyl]-1H-imidazol-5-yl]propyl]-1H-imidazole
SMILESCCC(C)(Cc1ncc(C(C)(C)Cc2cnc(C(C)(C)C)[nH]2)[nH]1)c1ccn[nH]1
InChIInChI=1S/C22H34N6/c1-8-22(7,16-9-10-25-28-16)12-18-23-14-17(27-18)21(5,6)11-15-13-24-19(26-15)20(2,3)4/h9-10,13-14H,8,11-12H2,1-7H3,(H,23,27)(H,24,26)(H,25,28)
InChIKeyPFOPBWFXQBTOKW-UHFFFAOYSA-N
XLogP4.58
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.56
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)butyl]-1H-imidazol-5-yl]propyl]-1H-imidazole?
The IUPAC name of 2-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)butyl]-1H-imidazol-5-yl]propyl]-1H-imidazole (CID 139573863) is 2-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)butyl]-1H-imidazol-5-yl]propyl]-1H-imidazole.
What is the SMILES notation for 2-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)butyl]-1H-imidazol-5-yl]propyl]-1H-imidazole?
The canonical SMILES for 2-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)butyl]-1H-imidazol-5-yl]propyl]-1H-imidazole is CCC(C)(Cc1ncc(C(C)(C)Cc2cnc(C(C)(C)C)[nH]2)[nH]1)c1ccn[nH]1.
What is the InChIKey of 2-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)butyl]-1H-imidazol-5-yl]propyl]-1H-imidazole?
The InChIKey is PFOPBWFXQBTOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6/c1-8-22(7,16-9-10-25-28-16)12-18-23-14-17(27-18)21(5,6)11-15-13-24-19(26-15)20(2,3)4/h9-10,13-14H,8,11-12H2,1-7H3,(H,23,27)(H,24,26)(H,25,28).
What are the key properties of 2-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)butyl]-1H-imidazol-5-yl]propyl]-1H-imidazole?
2-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)butyl]-1H-imidazol-5-yl]propyl]-1H-imidazole has a molecular weight of 382.56 g/mol, XLogP of 4.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[2-methyl-2-[2-[2-methyl-2-(1H-pyrazol-5-yl)butyl]-1H-imidazol-5-yl]propyl]-1H-imidazole is sourced from PubChem (CID 139573863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).