2-(4-tert-butylphenyl)-1H-benzimidazol-4-ol

C17H18N2O — CID 146365869

IUPAC2-(4-tert-butylphenyl)-1H-benzimidazol-4-ol
SMILESCC(C)(C)c1ccc(-c2nc3c(O)cccc3[nH]2)cc1
InChIInChI=1S/C17H18N2O/c1-17(2,3)12-9-7-11(8-10-12)16-18-13-5-4-6-14(20)15(13)19-16/h4-10,20H,1-3H3,(H,18,19)
InChIKeyHMRLUZXGRXGFCQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.23
Rot. Bonds1

About 2-(4-tert-butylphenyl)-1H-benzimidazol-4-ol

2-(4-tert-butylphenyl)-1H-benzimidazol-4-ol (PubChem CID 146365869) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1H-benzimidazol-4-ol.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1H-benzimidazol-4-ol
PubChem CID146365869
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-(4-tert-butylphenyl)-1H-benzimidazol-4-ol
SMILESCC(C)(C)c1ccc(-c2nc3c(O)cccc3[nH]2)cc1
InChIInChI=1S/C17H18N2O/c1-17(2,3)12-9-7-11(8-10-12)16-18-13-5-4-6-14(20)15(13)19-16/h4-10,20H,1-3H3,(H,18,19)
InChIKeyHMRLUZXGRXGFCQ-UHFFFAOYSA-N
XLogP4.23
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1H-benzimidazol-4-ol?
The IUPAC name of 2-(4-tert-butylphenyl)-1H-benzimidazol-4-ol (CID 146365869) is 2-(4-tert-butylphenyl)-1H-benzimidazol-4-ol.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1H-benzimidazol-4-ol?
The canonical SMILES for 2-(4-tert-butylphenyl)-1H-benzimidazol-4-ol is CC(C)(C)c1ccc(-c2nc3c(O)cccc3[nH]2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1H-benzimidazol-4-ol?
The InChIKey is HMRLUZXGRXGFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-17(2,3)12-9-7-11(8-10-12)16-18-13-5-4-6-14(20)15(13)19-16/h4-10,20H,1-3H3,(H,18,19).
What are the key properties of 2-(4-tert-butylphenyl)-1H-benzimidazol-4-ol?
2-(4-tert-butylphenyl)-1H-benzimidazol-4-ol has a molecular weight of 266.34 g/mol, XLogP of 4.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1H-benzimidazol-4-ol is sourced from PubChem (CID 146365869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).