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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Related Compounds

4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(1H-imidazol-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
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CID 70751332
1-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole
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5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-4-methyl-1H-pyrazole
CID 73440525
2-{1-[1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 56882221
4-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1H-pyrazole
CID 70736676
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CID 72904672
2-(5-tert-butyl-1H-pyrazol-3-yl)-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]imidazole
CID 95218470
1-ethyl-5-(5-isobutyl-1H-pyrazol-3-yl)-1,4-dihydroimidazo[4,5-c]pyrazole
CID 136092974
3,5-bis(trifluoromethyl)-1-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-[3-(trifluoromethyl)-1H-pyrazol-5-yl]ethyl]pyrazole
CID 87699093
2-(1H-pyrazol-5-ylmethyl)-5-(trifluoromethyl)-1H-imidazole
CID 91544987
1-[2-(2-ethylpyrazol-3-yl)ethyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
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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).