1-[4-[2-[1-(4-propan-2-yloxyphenyl)benzimidazol-5-yl]ethenyl]phenyl]ethanol

C26H26N2O2 — CID 123252574

IUPAC1-[4-[2-[1-(4-propan-2-yloxyphenyl)benzimidazol-5-yl]ethenyl]phenyl]ethanol
SMILESCC(C)Oc1ccc(-n2cnc3cc(C=Cc4ccc(C(C)O)cc4)ccc32)cc1
InChIInChI=1S/C26H26N2O2/c1-18(2)30-24-13-11-23(12-14-24)28-17-27-25-16-21(8-15-26(25)28)5-4-20-6-9-22(10-7-20)19(3)29/h4-19,29H,1-3H3
InChIKeyQONVSDGWROCQAI-UHFFFAOYSA-N
MW398.51 g/mol
LogP6.04
Rot. Bonds6

About 1-[4-[2-[1-(4-propan-2-yloxyphenyl)benzimidazol-5-yl]ethenyl]phenyl]ethanol

1-[4-[2-[1-(4-propan-2-yloxyphenyl)benzimidazol-5-yl]ethenyl]phenyl]ethanol (PubChem CID 123252574) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-[4-[2-[1-(4-propan-2-yloxyphenyl)benzimidazol-5-yl]ethenyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[2-[1-(4-propan-2-yloxyphenyl)benzimidazol-5-yl]ethenyl]phenyl]ethanol
PubChem CID123252574
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name1-[4-[2-[1-(4-propan-2-yloxyphenyl)benzimidazol-5-yl]ethenyl]phenyl]ethanol
SMILESCC(C)Oc1ccc(-n2cnc3cc(C=Cc4ccc(C(C)O)cc4)ccc32)cc1
InChIInChI=1S/C26H26N2O2/c1-18(2)30-24-13-11-23(12-14-24)28-17-27-25-16-21(8-15-26(25)28)5-4-20-6-9-22(10-7-20)19(3)29/h4-19,29H,1-3H3
InChIKeyQONVSDGWROCQAI-UHFFFAOYSA-N
XLogP6.04
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

[1-hydroxy-1-[4-[2-[1-(4-propan-2-yloxyphenyl)benzimidazol-5-yl]ethenyl]phenyl]ethyl] formate
CID 123243241
5-[(Z)-2-[4-(2-fluoropropan-2-yl)phenyl]ethenyl]-1-(4-propan-2-yloxyphenyl)benzimidazole;1-(4-propan-2-yloxyphenyl)-5-[(Z)-2-(4-prop-1-en-2-ylphenyl)ethenyl]benzimidazole
CID 162205453
5-[(Z)-2-(4-ethylphenyl)ethenyl]-1-(4-propan-2-ylphenyl)benzimidazole
CID 151682330
1-(4-propan-2-ylphenyl)-5-[(Z)-2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]ethenyl]benzimidazole
CID 175288205
6-bromo-5-methyl-1-(4-propan-2-yloxyphenyl)benzimidazole
CID 134179369
2-[4-[6-methyl-3-(4-propan-2-yloxyphenyl)benzimidazol-5-yl]phenyl]propan-2-ol
CID 146659111
1-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]ethanol
CID 11415465
(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanol
CID 67152123
5-methyl-3-(4-propan-2-yloxyphenyl)imidazole-4-carboxylic acid
CID 82484395
1-(4-propan-2-ylphenyl)benzimidazole-5-carboxylate
CID 4525946
N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 24748634
1-(4-methoxyphenyl)benzimidazol-5-amine
CID 783122

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[1-(4-propan-2-yloxyphenyl)benzimidazol-5-yl]ethenyl]phenyl]ethanol?
The IUPAC name of 1-[4-[2-[1-(4-propan-2-yloxyphenyl)benzimidazol-5-yl]ethenyl]phenyl]ethanol (CID 123252574) is 1-[4-[2-[1-(4-propan-2-yloxyphenyl)benzimidazol-5-yl]ethenyl]phenyl]ethanol.
What is the SMILES notation for 1-[4-[2-[1-(4-propan-2-yloxyphenyl)benzimidazol-5-yl]ethenyl]phenyl]ethanol?
The canonical SMILES for 1-[4-[2-[1-(4-propan-2-yloxyphenyl)benzimidazol-5-yl]ethenyl]phenyl]ethanol is CC(C)Oc1ccc(-n2cnc3cc(C=Cc4ccc(C(C)O)cc4)ccc32)cc1.
What is the InChIKey of 1-[4-[2-[1-(4-propan-2-yloxyphenyl)benzimidazol-5-yl]ethenyl]phenyl]ethanol?
The InChIKey is QONVSDGWROCQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-18(2)30-24-13-11-23(12-14-24)28-17-27-25-16-21(8-15-26(25)28)5-4-20-6-9-22(10-7-20)19(3)29/h4-19,29H,1-3H3.
What are the key properties of 1-[4-[2-[1-(4-propan-2-yloxyphenyl)benzimidazol-5-yl]ethenyl]phenyl]ethanol?
1-[4-[2-[1-(4-propan-2-yloxyphenyl)benzimidazol-5-yl]ethenyl]phenyl]ethanol has a molecular weight of 398.51 g/mol, XLogP of 6.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[1-(4-propan-2-yloxyphenyl)benzimidazol-5-yl]ethenyl]phenyl]ethanol is sourced from PubChem (CID 123252574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).