2-[[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methyl]phenol

C26H28N2O — CID 70681750

IUPAC2-[[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methyl]phenol
SMILESCC(C)Cc1ccc(C(C)c2nc3ccccc3n2Cc2ccccc2O)cc1
InChIInChI=1S/C26H28N2O/c1-18(2)16-20-12-14-21(15-13-20)19(3)26-27-23-9-5-6-10-24(23)28(26)17-22-8-4-7-11-25(22)29/h4-15,18-19,29H,16-17H2,1-3H3
InChIKeyMQAVCVGDMLXZFA-UHFFFAOYSA-N
MW384.52 g/mol
LogP6.14
Rot. Bonds6

About 2-[[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methyl]phenol

2-[[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methyl]phenol (PubChem CID 70681750) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-[[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methyl]phenol
PubChem CID70681750
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name2-[[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methyl]phenol
SMILESCC(C)Cc1ccc(C(C)c2nc3ccccc3n2Cc2ccccc2O)cc1
InChIInChI=1S/C26H28N2O/c1-18(2)16-20-12-14-21(15-13-20)19(3)26-27-23-9-5-6-10-24(23)28(26)17-22-8-4-7-11-25(22)29/h4-15,18-19,29H,16-17H2,1-3H3
InChIKeyMQAVCVGDMLXZFA-UHFFFAOYSA-N
XLogP6.14
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methyl]phenol?
The IUPAC name of 2-[[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methyl]phenol (CID 70681750) is 2-[[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methyl]phenol.
What is the SMILES notation for 2-[[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methyl]phenol?
The canonical SMILES for 2-[[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methyl]phenol is CC(C)Cc1ccc(C(C)c2nc3ccccc3n2Cc2ccccc2O)cc1.
What is the InChIKey of 2-[[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methyl]phenol?
The InChIKey is MQAVCVGDMLXZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c1-18(2)16-20-12-14-21(15-13-20)19(3)26-27-23-9-5-6-10-24(23)28(26)17-22-8-4-7-11-25(22)29/h4-15,18-19,29H,16-17H2,1-3H3.
What are the key properties of 2-[[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methyl]phenol?
2-[[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methyl]phenol has a molecular weight of 384.52 g/mol, XLogP of 6.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazol-1-yl]methyl]phenol is sourced from PubChem (CID 70681750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).