6-tert-butyl-1-hydroxy-2-phenylbenzimidazole

C17H18N2O — CID 10084283

IUPAC6-tert-butyl-1-hydroxy-2-phenylbenzimidazole
SMILESCC(C)(C)c1ccc2nc(-c3ccccc3)n(O)c2c1
InChIInChI=1S/C17H18N2O/c1-17(2,3)13-9-10-14-15(11-13)19(20)16(18-14)12-7-5-4-6-8-12/h4-11,20H,1-3H3
InChIKeyWZGXGEDMZGUFBZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.24
Rot. Bonds1

About 6-tert-butyl-1-hydroxy-2-phenylbenzimidazole

6-tert-butyl-1-hydroxy-2-phenylbenzimidazole (PubChem CID 10084283) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-tert-butyl-1-hydroxy-2-phenylbenzimidazole.

Molecular Properties

Compound Name6-tert-butyl-1-hydroxy-2-phenylbenzimidazole
PubChem CID10084283
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name6-tert-butyl-1-hydroxy-2-phenylbenzimidazole
SMILESCC(C)(C)c1ccc2nc(-c3ccccc3)n(O)c2c1
InChIInChI=1S/C17H18N2O/c1-17(2,3)13-9-10-14-15(11-13)19(20)16(18-14)12-7-5-4-6-8-12/h4-11,20H,1-3H3
InChIKeyWZGXGEDMZGUFBZ-UHFFFAOYSA-N
XLogP4.24
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-hydroxy-2-phenylbenzimidazole?
The IUPAC name of 6-tert-butyl-1-hydroxy-2-phenylbenzimidazole (CID 10084283) is 6-tert-butyl-1-hydroxy-2-phenylbenzimidazole.
What is the SMILES notation for 6-tert-butyl-1-hydroxy-2-phenylbenzimidazole?
The canonical SMILES for 6-tert-butyl-1-hydroxy-2-phenylbenzimidazole is CC(C)(C)c1ccc2nc(-c3ccccc3)n(O)c2c1.
What is the InChIKey of 6-tert-butyl-1-hydroxy-2-phenylbenzimidazole?
The InChIKey is WZGXGEDMZGUFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-17(2,3)13-9-10-14-15(11-13)19(20)16(18-14)12-7-5-4-6-8-12/h4-11,20H,1-3H3.
What are the key properties of 6-tert-butyl-1-hydroxy-2-phenylbenzimidazole?
6-tert-butyl-1-hydroxy-2-phenylbenzimidazole has a molecular weight of 266.34 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-hydroxy-2-phenylbenzimidazole is sourced from PubChem (CID 10084283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).