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

C26H25N3O — CID 24758813

IUPAC2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzamide
SMILESCC(C)(C)c1ccc(/C=C/c2nc3ccc(-c4ccccc4C(N)=O)cc3[nH]2)cc1
InChIInChI=1S/C26H25N3O/c1-26(2,3)19-12-8-17(9-13-19)10-15-24-28-22-14-11-18(16-23(22)29-24)20-6-4-5-7-21(20)25(27)30/h4-16H,1-3H3,(H2,27,30)(H,28,29)/b15-10+
InChIKeyJAWYCUCOUVBJQW-XNTDXEJSSA-N
MW395.51 g/mol
LogP5.80
Rot. Bonds4

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

2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzamide (PubChem CID 24758813) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzamide
PubChem CID24758813
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzamide
SMILESCC(C)(C)c1ccc(/C=C/c2nc3ccc(-c4ccccc4C(N)=O)cc3[nH]2)cc1
InChIInChI=1S/C26H25N3O/c1-26(2,3)19-12-8-17(9-13-19)10-15-24-28-22-14-11-18(16-23(22)29-24)20-6-4-5-7-21(20)25(27)30/h4-16H,1-3H3,(H2,27,30)(H,28,29)/b15-10+
InChIKeyJAWYCUCOUVBJQW-XNTDXEJSSA-N
XLogP5.80
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.80
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]benzamide?
The IUPAC name of 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzamide (CID 24758813) is 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzamide is CC(C)(C)c1ccc(/C=C/c2nc3ccc(-c4ccccc4C(N)=O)cc3[nH]2)cc1.
What is the InChIKey of 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzamide?
The InChIKey is JAWYCUCOUVBJQW-XNTDXEJSSA-N. The full InChI is InChI=1S/C26H25N3O/c1-26(2,3)19-12-8-17(9-13-19)10-15-24-28-22-14-11-18(16-23(22)29-24)20-6-4-5-7-21(20)25(27)30/h4-16H,1-3H3,(H2,27,30)(H,28,29)/b15-10+.
What are the key properties of 2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzamide?
2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzamide has a molecular weight of 395.51 g/mol, XLogP of 5.80, 4 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]benzamide is sourced from PubChem (CID 24758813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).