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

C26H26N2O — CID 24759035

IUPAC[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanol
SMILESCC(C)(C)c1ccc(/C=C/c2nc3ccc(-c4ccccc4CO)cc3[nH]2)cc1
InChIInChI=1S/C26H26N2O/c1-26(2,3)21-12-8-18(9-13-21)10-15-25-27-23-14-11-19(16-24(23)28-25)22-7-5-4-6-20(22)17-29/h4-16,29H,17H2,1-3H3,(H,27,28)/b15-10+
InChIKeyOROOGJWXBBLLFR-XNTDXEJSSA-N
MW382.51 g/mol
LogP6.19
Rot. Bonds4

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

[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanol (PubChem CID 24759035) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is [2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanol
PubChem CID24759035
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanol
SMILESCC(C)(C)c1ccc(/C=C/c2nc3ccc(-c4ccccc4CO)cc3[nH]2)cc1
InChIInChI=1S/C26H26N2O/c1-26(2,3)21-12-8-18(9-13-21)10-15-25-27-23-14-11-19(16-24(23)28-25)22-7-5-4-6-20(22)17-29/h4-16,29H,17H2,1-3H3,(H,27,28)/b15-10+
InChIKeyOROOGJWXBBLLFR-XNTDXEJSSA-N
XLogP6.19
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 56.19
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]phenyl]methanol?
The IUPAC name of [2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanol (CID 24759035) is [2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanol.
What is the SMILES notation for [2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanol?
The canonical SMILES for [2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanol is CC(C)(C)c1ccc(/C=C/c2nc3ccc(-c4ccccc4CO)cc3[nH]2)cc1.
What is the InChIKey of [2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanol?
The InChIKey is OROOGJWXBBLLFR-XNTDXEJSSA-N. The full InChI is InChI=1S/C26H26N2O/c1-26(2,3)21-12-8-18(9-13-21)10-15-25-27-23-14-11-19(16-24(23)28-25)22-7-5-4-6-20(22)17-29/h4-16,29H,17H2,1-3H3,(H,27,28)/b15-10+.
What are the key properties of [2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanol?
[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanol has a molecular weight of 382.51 g/mol, XLogP of 6.19, 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]phenyl]methanol is sourced from PubChem (CID 24759035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).