6-tert-butyl-2-[2-[3-(2-methylpropyl)cyclobutyl]ethyl]-1H-benzimidazole

C21H32N2 — CID 126713121

IUPAC6-tert-butyl-2-[2-[3-(2-methylpropyl)cyclobutyl]ethyl]-1H-benzimidazole
SMILESCC(C)CC1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1
InChIInChI=1S/C21H32N2/c1-14(2)10-16-11-15(12-16)6-9-20-22-18-8-7-17(21(3,4)5)13-19(18)23-20/h7-8,13-16H,6,9-12H2,1-5H3,(H,22,23)
InChIKeyBCOFUIPMAHZTPF-UHFFFAOYSA-N
MW312.50 g/mol
LogP5.87
Rot. Bonds5

About 6-tert-butyl-2-[2-[3-(2-methylpropyl)cyclobutyl]ethyl]-1H-benzimidazole

6-tert-butyl-2-[2-[3-(2-methylpropyl)cyclobutyl]ethyl]-1H-benzimidazole (PubChem CID 126713121) has the molecular formula C21H32N2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 6-tert-butyl-2-[2-[3-(2-methylpropyl)cyclobutyl]ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-tert-butyl-2-[2-[3-(2-methylpropyl)cyclobutyl]ethyl]-1H-benzimidazole
PubChem CID126713121
Molecular FormulaC21H32N2
Molecular Weight312.50 g/mol
Exact Mass312.26
IUPAC Name6-tert-butyl-2-[2-[3-(2-methylpropyl)cyclobutyl]ethyl]-1H-benzimidazole
SMILESCC(C)CC1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1
InChIInChI=1S/C21H32N2/c1-14(2)10-16-11-15(12-16)6-9-20-22-18-8-7-17(21(3,4)5)13-19(18)23-20/h7-8,13-16H,6,9-12H2,1-5H3,(H,22,23)
InChIKeyBCOFUIPMAHZTPF-UHFFFAOYSA-N
XLogP5.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.50
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[2-[3-(2-methylpropyl)cyclobutyl]ethyl]-1H-benzimidazole?
The IUPAC name of 6-tert-butyl-2-[2-[3-(2-methylpropyl)cyclobutyl]ethyl]-1H-benzimidazole (CID 126713121) is 6-tert-butyl-2-[2-[3-(2-methylpropyl)cyclobutyl]ethyl]-1H-benzimidazole.
What is the SMILES notation for 6-tert-butyl-2-[2-[3-(2-methylpropyl)cyclobutyl]ethyl]-1H-benzimidazole?
The canonical SMILES for 6-tert-butyl-2-[2-[3-(2-methylpropyl)cyclobutyl]ethyl]-1H-benzimidazole is CC(C)CC1CC(CCc2nc3ccc(C(C)(C)C)cc3[nH]2)C1.
What is the InChIKey of 6-tert-butyl-2-[2-[3-(2-methylpropyl)cyclobutyl]ethyl]-1H-benzimidazole?
The InChIKey is BCOFUIPMAHZTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2/c1-14(2)10-16-11-15(12-16)6-9-20-22-18-8-7-17(21(3,4)5)13-19(18)23-20/h7-8,13-16H,6,9-12H2,1-5H3,(H,22,23).
What are the key properties of 6-tert-butyl-2-[2-[3-(2-methylpropyl)cyclobutyl]ethyl]-1H-benzimidazole?
6-tert-butyl-2-[2-[3-(2-methylpropyl)cyclobutyl]ethyl]-1H-benzimidazole has a molecular weight of 312.50 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[2-[3-(2-methylpropyl)cyclobutyl]ethyl]-1H-benzimidazole is sourced from PubChem (CID 126713121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).