6-tert-butyl-N,1-di(propan-2-yl)benzimidazol-2-amine

C17H27N3 — CID 132599814

IUPAC6-tert-butyl-N,1-di(propan-2-yl)benzimidazol-2-amine
SMILESCC(C)Nc1nc2ccc(C(C)(C)C)cc2n1C(C)C
InChIInChI=1S/C17H27N3/c1-11(2)18-16-19-14-9-8-13(17(5,6)7)10-15(14)20(16)12(3)4/h8-12H,1-7H3,(H,18,19)
InChIKeyOOFMJTUBXIYLHF-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.74
Rot. Bonds3

About 6-tert-butyl-N,1-di(propan-2-yl)benzimidazol-2-amine

6-tert-butyl-N,1-di(propan-2-yl)benzimidazol-2-amine (PubChem CID 132599814) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 6-tert-butyl-N,1-di(propan-2-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-tert-butyl-N,1-di(propan-2-yl)benzimidazol-2-amine
PubChem CID132599814
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name6-tert-butyl-N,1-di(propan-2-yl)benzimidazol-2-amine
SMILESCC(C)Nc1nc2ccc(C(C)(C)C)cc2n1C(C)C
InChIInChI=1S/C17H27N3/c1-11(2)18-16-19-14-9-8-13(17(5,6)7)10-15(14)20(16)12(3)4/h8-12H,1-7H3,(H,18,19)
InChIKeyOOFMJTUBXIYLHF-UHFFFAOYSA-N
XLogP4.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N,1-di(propan-2-yl)benzimidazol-2-amine?
The IUPAC name of 6-tert-butyl-N,1-di(propan-2-yl)benzimidazol-2-amine (CID 132599814) is 6-tert-butyl-N,1-di(propan-2-yl)benzimidazol-2-amine.
What is the SMILES notation for 6-tert-butyl-N,1-di(propan-2-yl)benzimidazol-2-amine?
The canonical SMILES for 6-tert-butyl-N,1-di(propan-2-yl)benzimidazol-2-amine is CC(C)Nc1nc2ccc(C(C)(C)C)cc2n1C(C)C.
What is the InChIKey of 6-tert-butyl-N,1-di(propan-2-yl)benzimidazol-2-amine?
The InChIKey is OOFMJTUBXIYLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-11(2)18-16-19-14-9-8-13(17(5,6)7)10-15(14)20(16)12(3)4/h8-12H,1-7H3,(H,18,19).
What are the key properties of 6-tert-butyl-N,1-di(propan-2-yl)benzimidazol-2-amine?
6-tert-butyl-N,1-di(propan-2-yl)benzimidazol-2-amine has a molecular weight of 273.42 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N,1-di(propan-2-yl)benzimidazol-2-amine is sourced from PubChem (CID 132599814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).