2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenol

C25H24N2O — CID 24758811

IUPAC2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenol
SMILESCC(C)(C)c1ccc(/C=C/c2nc3ccc(-c4ccccc4O)cc3[nH]2)cc1
InChIInChI=1S/C25H24N2O/c1-25(2,3)19-12-8-17(9-13-19)10-15-24-26-21-14-11-18(16-22(21)27-24)20-6-4-5-7-23(20)28/h4-16,28H,1-3H3,(H,26,27)/b15-10+
InChIKeyJLWSAKLQYQDRPS-XNTDXEJSSA-N
MW368.48 g/mol
LogP6.40
Rot. Bonds3

About 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenol

2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenol (PubChem CID 24758811) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenol.

Molecular Properties

Compound Name2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenol
PubChem CID24758811
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenol
SMILESCC(C)(C)c1ccc(/C=C/c2nc3ccc(-c4ccccc4O)cc3[nH]2)cc1
InChIInChI=1S/C25H24N2O/c1-25(2,3)19-12-8-17(9-13-19)10-15-24-26-21-14-11-18(16-22(21)27-24)20-6-4-5-7-23(20)28/h4-16,28H,1-3H3,(H,26,27)/b15-10+
InChIKeyJLWSAKLQYQDRPS-XNTDXEJSSA-N
XLogP6.40
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenol?
The IUPAC name of 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenol (CID 24758811) is 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenol.
What is the SMILES notation for 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenol?
The canonical SMILES for 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenol is CC(C)(C)c1ccc(/C=C/c2nc3ccc(-c4ccccc4O)cc3[nH]2)cc1.
What is the InChIKey of 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenol?
The InChIKey is JLWSAKLQYQDRPS-XNTDXEJSSA-N. The full InChI is InChI=1S/C25H24N2O/c1-25(2,3)19-12-8-17(9-13-19)10-15-24-26-21-14-11-18(16-22(21)27-24)20-6-4-5-7-23(20)28/h4-16,28H,1-3H3,(H,26,27)/b15-10+.
What are the key properties of 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenol?
2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenol has a molecular weight of 368.48 g/mol, XLogP of 6.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenol is sourced from PubChem (CID 24758811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).