4-tert-butyl-2H-benzimidazole

C11H14N2 — CID 59485374

IUPAC4-tert-butyl-2H-benzimidazole
SMILESCC(C)(C)c1cccc2c1=NCN=2
InChIInChI=1S/C11H14N2/c1-11(2,3)8-5-4-6-9-10(8)13-7-12-9/h4-6H,7H2,1-3H3
InChIKeyUUXOVVUAPDDPFA-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.19
Rot. Bonds

About 4-tert-butyl-2H-benzimidazole

4-tert-butyl-2H-benzimidazole (PubChem CID 59485374) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 4-tert-butyl-2H-benzimidazole.

Molecular Properties

Compound Name4-tert-butyl-2H-benzimidazole
PubChem CID59485374
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name4-tert-butyl-2H-benzimidazole
SMILESCC(C)(C)c1cccc2c1=NCN=2
InChIInChI=1S/C11H14N2/c1-11(2,3)8-5-4-6-9-10(8)13-7-12-9/h4-6H,7H2,1-3H3
InChIKeyUUXOVVUAPDDPFA-UHFFFAOYSA-N
XLogP1.19
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2H-benzimidazole?
The IUPAC name of 4-tert-butyl-2H-benzimidazole (CID 59485374) is 4-tert-butyl-2H-benzimidazole.
What is the SMILES notation for 4-tert-butyl-2H-benzimidazole?
The canonical SMILES for 4-tert-butyl-2H-benzimidazole is CC(C)(C)c1cccc2c1=NCN=2.
What is the InChIKey of 4-tert-butyl-2H-benzimidazole?
The InChIKey is UUXOVVUAPDDPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-11(2,3)8-5-4-6-9-10(8)13-7-12-9/h4-6H,7H2,1-3H3.
What are the key properties of 4-tert-butyl-2H-benzimidazole?
4-tert-butyl-2H-benzimidazole has a molecular weight of 174.25 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2H-benzimidazole is sourced from PubChem (CID 59485374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).