2-tert-butyl-6-(5-tert-butyl-3-pyridinyl)-3,5-dihydroimidazo[4,5-f]benzimidazole

C21H25N5 — CID 123337569

IUPAC2-tert-butyl-6-(5-tert-butyl-3-pyridinyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
SMILESCC(C)(C)c1cncc(-c2nc3cc4nc(C(C)(C)C)[nH]c4cc3[nH]2)c1
InChIInChI=1S/C21H25N5/c1-20(2,3)13-7-12(10-22-11-13)18-23-14-8-16-17(9-15(14)24-18)26-19(25-16)21(4,5)6/h7-11H,1-6H3,(H,23,24)(H,25,26)
InChIKeyCBDAYTWERDSELG-UHFFFAOYSA-N
MW347.47 g/mol
LogP5.10
Rot. Bonds1

About 2-tert-butyl-6-(5-tert-butyl-3-pyridinyl)-3,5-dihydroimidazo[4,5-f]benzimidazole

2-tert-butyl-6-(5-tert-butyl-3-pyridinyl)-3,5-dihydroimidazo[4,5-f]benzimidazole (PubChem CID 123337569) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 2-tert-butyl-6-(5-tert-butyl-3-pyridinyl)-3,5-dihydroimidazo[4,5-f]benzimidazole.

Molecular Properties

Compound Name2-tert-butyl-6-(5-tert-butyl-3-pyridinyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
PubChem CID123337569
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name2-tert-butyl-6-(5-tert-butyl-3-pyridinyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
SMILESCC(C)(C)c1cncc(-c2nc3cc4nc(C(C)(C)C)[nH]c4cc3[nH]2)c1
InChIInChI=1S/C21H25N5/c1-20(2,3)13-7-12(10-22-11-13)18-23-14-8-16-17(9-15(14)24-18)26-19(25-16)21(4,5)6/h7-11H,1-6H3,(H,23,24)(H,25,26)
InChIKeyCBDAYTWERDSELG-UHFFFAOYSA-N
XLogP5.10
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.47
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2-tert-butyl-3H-benzimidazol-5-yl)sulfonyl]-2-(4-tert-butylphenyl)-1H-benzimidazole
CID 163984148
5-(5,6-difluoro-1H-benzimidazol-2-yl)pyridin-3-ol
CID 63852563
2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
CID 59482293
2-tert-butyl-5,6-dimethoxy-1H-benzimidazole
CID 39158314
6-methyl-2-(5-methyl-3-pyridinyl)-3,5-dihydroimidazo[4,5-f]benzimidazole;6-methyl-2-(6-methylpyrimidin-4-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole
CID 90906999
(2,6-ditert-butyl-1H-benzimidazol-5-yl)phosphane
CID 129197665
2-tert-butyl-5-chloro-6-methyl-1H-benzimidazole
CID 58897196
6-methyl-2-(6-methylpyrazin-2-yl)-3,5-dihydroimidazo[4,5-f]benzimidazole
CID 59557222
2-(5-fluoro-3-pyridinyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 104786107
5-(6-methoxy-1H-benzimidazol-2-yl)pyridin-3-ol
CID 65017825
2-(4-tert-butylphenyl)-6-chloro-1H-benzimidazole
CID 60646324
2-tert-butyl-6-methoxy-1H-benzimidazole
CID 58861925

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(5-tert-butyl-3-pyridinyl)-3,5-dihydroimidazo[4,5-f]benzimidazole?
The IUPAC name of 2-tert-butyl-6-(5-tert-butyl-3-pyridinyl)-3,5-dihydroimidazo[4,5-f]benzimidazole (CID 123337569) is 2-tert-butyl-6-(5-tert-butyl-3-pyridinyl)-3,5-dihydroimidazo[4,5-f]benzimidazole.
What is the SMILES notation for 2-tert-butyl-6-(5-tert-butyl-3-pyridinyl)-3,5-dihydroimidazo[4,5-f]benzimidazole?
The canonical SMILES for 2-tert-butyl-6-(5-tert-butyl-3-pyridinyl)-3,5-dihydroimidazo[4,5-f]benzimidazole is CC(C)(C)c1cncc(-c2nc3cc4nc(C(C)(C)C)[nH]c4cc3[nH]2)c1.
What is the InChIKey of 2-tert-butyl-6-(5-tert-butyl-3-pyridinyl)-3,5-dihydroimidazo[4,5-f]benzimidazole?
The InChIKey is CBDAYTWERDSELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-20(2,3)13-7-12(10-22-11-13)18-23-14-8-16-17(9-15(14)24-18)26-19(25-16)21(4,5)6/h7-11H,1-6H3,(H,23,24)(H,25,26).
What are the key properties of 2-tert-butyl-6-(5-tert-butyl-3-pyridinyl)-3,5-dihydroimidazo[4,5-f]benzimidazole?
2-tert-butyl-6-(5-tert-butyl-3-pyridinyl)-3,5-dihydroimidazo[4,5-f]benzimidazole has a molecular weight of 347.47 g/mol, XLogP of 5.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(5-tert-butyl-3-pyridinyl)-3,5-dihydroimidazo[4,5-f]benzimidazole is sourced from PubChem (CID 123337569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).