2-tert-butyl-1,5,6,7-tetrahydrobenzimidazol-4-one

C11H16N2O — CID 58460224

IUPAC2-tert-butyl-1,5,6,7-tetrahydrobenzimidazol-4-one
SMILESCC(C)(C)c1nc2c([nH]1)CCCC2=O
InChIInChI=1S/C11H16N2O/c1-11(2,3)10-12-7-5-4-6-8(14)9(7)13-10/h4-6H2,1-3H3,(H,12,13)
InChIKeyZJVCFKSGGLUQEA-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.23
Rot. Bonds

About 2-tert-butyl-1,5,6,7-tetrahydrobenzimidazol-4-one

2-tert-butyl-1,5,6,7-tetrahydrobenzimidazol-4-one (PubChem CID 58460224) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-tert-butyl-1,5,6,7-tetrahydrobenzimidazol-4-one.

Molecular Properties

Compound Name2-tert-butyl-1,5,6,7-tetrahydrobenzimidazol-4-one
PubChem CID58460224
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-tert-butyl-1,5,6,7-tetrahydrobenzimidazol-4-one
SMILESCC(C)(C)c1nc2c([nH]1)CCCC2=O
InChIInChI=1S/C11H16N2O/c1-11(2,3)10-12-7-5-4-6-8(14)9(7)13-10/h4-6H2,1-3H3,(H,12,13)
InChIKeyZJVCFKSGGLUQEA-UHFFFAOYSA-N
XLogP2.23
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,5,6,7-tetrahydrobenzimidazol-4-one?
The IUPAC name of 2-tert-butyl-1,5,6,7-tetrahydrobenzimidazol-4-one (CID 58460224) is 2-tert-butyl-1,5,6,7-tetrahydrobenzimidazol-4-one.
What is the SMILES notation for 2-tert-butyl-1,5,6,7-tetrahydrobenzimidazol-4-one?
The canonical SMILES for 2-tert-butyl-1,5,6,7-tetrahydrobenzimidazol-4-one is CC(C)(C)c1nc2c([nH]1)CCCC2=O.
What is the InChIKey of 2-tert-butyl-1,5,6,7-tetrahydrobenzimidazol-4-one?
The InChIKey is ZJVCFKSGGLUQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-11(2,3)10-12-7-5-4-6-8(14)9(7)13-10/h4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-tert-butyl-1,5,6,7-tetrahydrobenzimidazol-4-one?
2-tert-butyl-1,5,6,7-tetrahydrobenzimidazol-4-one has a molecular weight of 192.26 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,5,6,7-tetrahydrobenzimidazol-4-one is sourced from PubChem (CID 58460224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).