4,7-ditert-butyl-5,6-difluoro-2H-benzimidazole

C15H20F2N2 — CID 134451233

IUPAC4,7-ditert-butyl-5,6-difluoro-2H-benzimidazole
SMILESCC(C)(C)c1c(F)c(F)c(C(C)(C)C)c2c1=NCN=2
InChIInChI=1S/C15H20F2N2/c1-14(2,3)8-10(16)11(17)9(15(4,5)6)13-12(8)18-7-19-13/h7H2,1-6H3
InChIKeyBGCJHXHGIPJZGY-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.77
Rot. Bonds

About 4,7-ditert-butyl-5,6-difluoro-2H-benzimidazole

4,7-ditert-butyl-5,6-difluoro-2H-benzimidazole (PubChem CID 134451233) has the molecular formula C15H20F2N2 and a molecular weight of 266.33 g/mol. Its IUPAC name is 4,7-ditert-butyl-5,6-difluoro-2H-benzimidazole.

Molecular Properties

Compound Name4,7-ditert-butyl-5,6-difluoro-2H-benzimidazole
PubChem CID134451233
Molecular FormulaC15H20F2N2
Molecular Weight266.33 g/mol
Exact Mass266.16
IUPAC Name4,7-ditert-butyl-5,6-difluoro-2H-benzimidazole
SMILESCC(C)(C)c1c(F)c(F)c(C(C)(C)C)c2c1=NCN=2
InChIInChI=1S/C15H20F2N2/c1-14(2,3)8-10(16)11(17)9(15(4,5)6)13-12(8)18-7-19-13/h7H2,1-6H3
InChIKeyBGCJHXHGIPJZGY-UHFFFAOYSA-N
XLogP2.77
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-Ditert-butyl-4,5-difluorocyclohexa-3,5-diene-1,2-diimine
CID 126685667
4,7-ditert-butyl-6-(trifluoromethyl)-2H-imidazo[4,5-c]pyridine
CID 134451229
5,10-Ditert-butyl-4,9-difluoro-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole
CID 134451232
4,7-ditert-butyl-6-fluoro-2H-imidazo[4,5-c]pyridine
CID 134451257
4,7-Ditert-butyl-5,6-difluoro-2,2-dimethylbenzimidazole
CID 145599085
(6-Azaniumylidene-2,5-ditert-butyl-3,4-difluorocyclohexa-2,4-dien-1-ylidene)azanium
CID 145679284
4,7-ditert-butyl-2H-benzimidazole
CID 134195407
4,7-Ditert-butyl-2,2-dimethylbenzimidazole
CID 145599063
7-(4,4-Dimethylpentyl)-4,6-dimethyl-2,5-dihydrobenzimidazol-5-ide;bis(yttrium)
CID 149228041
6-Methyl-4,7-di(propan-2-yl)-2,5-dihydrobenzimidazol-5-ide;yttrium
CID 153129261
4-(4,4-dimethylpentyl)-5,7-dimethyl-2H-benzimidazole
CID 149228042
4,7-ditert-butyl-5-methyl-2H-benzimidazole
CID 158810445

Frequently Asked Questions

What is the IUPAC name of 4,7-ditert-butyl-5,6-difluoro-2H-benzimidazole?
The IUPAC name of 4,7-ditert-butyl-5,6-difluoro-2H-benzimidazole (CID 134451233) is 4,7-ditert-butyl-5,6-difluoro-2H-benzimidazole.
What is the SMILES notation for 4,7-ditert-butyl-5,6-difluoro-2H-benzimidazole?
The canonical SMILES for 4,7-ditert-butyl-5,6-difluoro-2H-benzimidazole is CC(C)(C)c1c(F)c(F)c(C(C)(C)C)c2c1=NCN=2.
What is the InChIKey of 4,7-ditert-butyl-5,6-difluoro-2H-benzimidazole?
The InChIKey is BGCJHXHGIPJZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2/c1-14(2,3)8-10(16)11(17)9(15(4,5)6)13-12(8)18-7-19-13/h7H2,1-6H3.
What are the key properties of 4,7-ditert-butyl-5,6-difluoro-2H-benzimidazole?
4,7-ditert-butyl-5,6-difluoro-2H-benzimidazole has a molecular weight of 266.33 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-ditert-butyl-5,6-difluoro-2H-benzimidazole is sourced from PubChem (CID 134451233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).