2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol

C24H22N4O2 — CID 174213303

IUPAC2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
SMILESOCCn1c(-c2ccc(-c3nc4ccccc4n3CCO)cc2)nc2ccccc21
InChIInChI=1S/C24H22N4O2/c29-15-13-27-21-7-3-1-5-19(21)25-23(27)17-9-11-18(12-10-17)24-26-20-6-2-4-8-22(20)28(24)14-16-30/h1-12,29-30H,13-16H2
InChIKeyWIWDBXGSFLNRKY-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.70
Rot. Bonds6

About 2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol

2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol (PubChem CID 174213303) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
PubChem CID174213303
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
SMILESOCCn1c(-c2ccc(-c3nc4ccccc4n3CCO)cc2)nc2ccccc21
InChIInChI=1S/C24H22N4O2/c29-15-13-27-21-7-3-1-5-19(21)25-23(27)17-9-11-18(12-10-17)24-26-20-6-2-4-8-22(20)28(24)14-16-30/h1-12,29-30H,13-16H2
InChIKeyWIWDBXGSFLNRKY-UHFFFAOYSA-N
XLogP3.70
TPSA76.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 82149276
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2-(2-methylbenzimidazol-1-yl)ethanol
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[2-[4-[1-(aminomethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]methanamine
CID 158757236
2-[2-(3-amino-4-ethoxyphenyl)benzimidazol-1-yl]ethanol
CID 82149308
1-(3-methylbutyl)-2-(4-methylphenyl)benzimidazole
CID 18878798
2-[6-chloro-2-(4-chlorophenyl)benzimidazol-1-yl]ethanol
CID 10638406
3-[2-(4-tert-butylphenyl)benzimidazol-1-yl]propane-1,2-diol
CID 84571502
2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]ethanol
CID 115144108
2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole
CID 5095173

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol (CID 174213303) is 2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol is OCCn1c(-c2ccc(-c3nc4ccccc4n3CCO)cc2)nc2ccccc21.
What is the InChIKey of 2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol?
The InChIKey is WIWDBXGSFLNRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c29-15-13-27-21-7-3-1-5-19(21)25-23(27)17-9-11-18(12-10-17)24-26-20-6-2-4-8-22(20)28(24)14-16-30/h1-12,29-30H,13-16H2.
What are the key properties of 2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol?
2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol has a molecular weight of 398.47 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol is sourced from PubChem (CID 174213303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).