4,7-ditert-butyl-5-methyl-2H-benzimidazole

C16H24N2 — CID 158810445

IUPAC4,7-ditert-butyl-5-methyl-2H-benzimidazole
SMILESCc1cc(C(C)(C)C)c2c(c1C(C)(C)C)=NCN=2
InChIInChI=1S/C16H24N2/c1-10-8-11(15(2,3)4)13-14(18-9-17-13)12(10)16(5,6)7/h8H,9H2,1-7H3
InChIKeyCEJQSMKAJSYDCP-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.80
Rot. Bonds

About 4,7-ditert-butyl-5-methyl-2H-benzimidazole

4,7-ditert-butyl-5-methyl-2H-benzimidazole (PubChem CID 158810445) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4,7-ditert-butyl-5-methyl-2H-benzimidazole.

Molecular Properties

Compound Name4,7-ditert-butyl-5-methyl-2H-benzimidazole
PubChem CID158810445
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name4,7-ditert-butyl-5-methyl-2H-benzimidazole
SMILESCc1cc(C(C)(C)C)c2c(c1C(C)(C)C)=NCN=2
InChIInChI=1S/C16H24N2/c1-10-8-11(15(2,3)4)13-14(18-9-17-13)12(10)16(5,6)7/h8H,9H2,1-7H3
InChIKeyCEJQSMKAJSYDCP-UHFFFAOYSA-N
XLogP2.80
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7-ditert-butyl-5-methyl-2H-benzimidazole?
The IUPAC name of 4,7-ditert-butyl-5-methyl-2H-benzimidazole (CID 158810445) is 4,7-ditert-butyl-5-methyl-2H-benzimidazole.
What is the SMILES notation for 4,7-ditert-butyl-5-methyl-2H-benzimidazole?
The canonical SMILES for 4,7-ditert-butyl-5-methyl-2H-benzimidazole is Cc1cc(C(C)(C)C)c2c(c1C(C)(C)C)=NCN=2.
What is the InChIKey of 4,7-ditert-butyl-5-methyl-2H-benzimidazole?
The InChIKey is CEJQSMKAJSYDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-10-8-11(15(2,3)4)13-14(18-9-17-13)12(10)16(5,6)7/h8H,9H2,1-7H3.
What are the key properties of 4,7-ditert-butyl-5-methyl-2H-benzimidazole?
4,7-ditert-butyl-5-methyl-2H-benzimidazole has a molecular weight of 244.38 g/mol, XLogP of 2.80, 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-methyl-2H-benzimidazole is sourced from PubChem (CID 158810445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).