4,7-ditert-butyl-2H-benzimidazole

C15H22N2 — CID 134195407

IUPAC4,7-ditert-butyl-2H-benzimidazole
SMILESCC(C)(C)c1ccc(C(C)(C)C)c2c1=NCN=2
InChIInChI=1S/C15H22N2/c1-14(2,3)10-7-8-11(15(4,5)6)13-12(10)16-9-17-13/h7-8H,9H2,1-6H3
InChIKeyXRNNUMNBVBSRGY-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.49
Rot. Bonds

About 4,7-ditert-butyl-2H-benzimidazole

4,7-ditert-butyl-2H-benzimidazole (PubChem CID 134195407) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4,7-ditert-butyl-2H-benzimidazole.

Molecular Properties

Compound Name4,7-ditert-butyl-2H-benzimidazole
PubChem CID134195407
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name4,7-ditert-butyl-2H-benzimidazole
SMILESCC(C)(C)c1ccc(C(C)(C)C)c2c1=NCN=2
InChIInChI=1S/C15H22N2/c1-14(2,3)10-7-8-11(15(4,5)6)13-12(10)16-9-17-13/h7-8H,9H2,1-6H3
InChIKeyXRNNUMNBVBSRGY-UHFFFAOYSA-N
XLogP2.49
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,7-ditert-butyl-5,6-difluoro-2H-benzimidazole
CID 134451233
4,7-Ditert-butyl-5,6-difluoro-2,2-dimethylbenzimidazole
CID 145599085
5-(2,2-dimethylpropyl)-2H-benzimidazole
CID 58147203
4-(2,2-dimethylpropyl)-2H-benzimidazole
CID 58157732
4,7-diethyl-2H-benzimidazole
CID 58776602
4-tert-butyl-2H-benzimidazole
CID 59485374
1-N,2-N-dimethyl-3,6-bis[(2E,4E)-5,6,6-trimethylhepta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 88553588
4,7-di(propan-2-yl)-2H-benzimidazole
CID 89446993
4-methyl-7-propan-2-yl-2H-benzimidazole
CID 89451895
4-ethyl-7-propyl-2H-benzimidazole
CID 90273567
4,7-diethyl-2H-benzimidazole;ethane
CID 91265314
1-N,2-N,4,5-tetramethyl-3,6-bis[(2E,4E)-5,6,6-trimethylhepta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 130372395

Frequently Asked Questions

What is the IUPAC name of 4,7-ditert-butyl-2H-benzimidazole?
The IUPAC name of 4,7-ditert-butyl-2H-benzimidazole (CID 134195407) is 4,7-ditert-butyl-2H-benzimidazole.
What is the SMILES notation for 4,7-ditert-butyl-2H-benzimidazole?
The canonical SMILES for 4,7-ditert-butyl-2H-benzimidazole is CC(C)(C)c1ccc(C(C)(C)C)c2c1=NCN=2.
What is the InChIKey of 4,7-ditert-butyl-2H-benzimidazole?
The InChIKey is XRNNUMNBVBSRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-14(2,3)10-7-8-11(15(4,5)6)13-12(10)16-9-17-13/h7-8H,9H2,1-6H3.
What are the key properties of 4,7-ditert-butyl-2H-benzimidazole?
4,7-ditert-butyl-2H-benzimidazole has a molecular weight of 230.35 g/mol, XLogP of 2.49, 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-2H-benzimidazole is sourced from PubChem (CID 134195407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).