2-[2-(3-amino-4-ethoxyphenyl)benzimidazol-1-yl]ethanol

C17H19N3O2 — CID 82149308

IUPAC2-[2-(3-amino-4-ethoxyphenyl)benzimidazol-1-yl]ethanol
SMILESCCOc1ccc(-c2nc3ccccc3n2CCO)cc1N
InChIInChI=1S/C17H19N3O2/c1-2-22-16-8-7-12(11-13(16)18)17-19-14-5-3-4-6-15(14)20(17)9-10-21/h3-8,11,21H,2,9-10,18H2,1H3
InChIKeyHPMHZORYUMAECA-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.68
Rot. Bonds5

About 2-[2-(3-amino-4-ethoxyphenyl)benzimidazol-1-yl]ethanol

2-[2-(3-amino-4-ethoxyphenyl)benzimidazol-1-yl]ethanol (PubChem CID 82149308) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[2-(3-amino-4-ethoxyphenyl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(3-amino-4-ethoxyphenyl)benzimidazol-1-yl]ethanol
PubChem CID82149308
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-[2-(3-amino-4-ethoxyphenyl)benzimidazol-1-yl]ethanol
SMILESCCOc1ccc(-c2nc3ccccc3n2CCO)cc1N
InChIInChI=1S/C17H19N3O2/c1-2-22-16-8-7-12(11-13(16)18)17-19-14-5-3-4-6-15(14)20(17)9-10-21/h3-8,11,21H,2,9-10,18H2,1H3
InChIKeyHPMHZORYUMAECA-UHFFFAOYSA-N
XLogP2.68
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-amino-4-ethoxyphenyl)benzimidazol-1-yl]acetonitrile
CID 82145002
2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]ethanol
CID 82149276
2-amino-4-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol
CID 136872120
2-[2-(3-ethoxy-4-methoxyphenyl)benzimidazol-1-yl]acetic acid
CID 20994244
2-fluoro-4-(1-propylbenzimidazol-2-yl)aniline
CID 63187871
2-(4-bromophenyl)-1-[2-(2-ethoxyphenoxy)ethyl]benzimidazole
CID 17001175
2-[2-(3-ethoxy-4-propoxyphenyl)benzimidazol-1-yl]acetic acid
CID 22684801
2-[2-(5-amino-2-methylphenyl)benzimidazol-1-yl]ethanol
CID 63652268
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)benzimidazol-1-yl]ethanol
CID 50959699
5-[1-(aminomethyl)imidazo[1,5-a]pyridin-3-yl]-2-ethoxyaniline
CID 84760144
2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)benzimidazole
CID 2946907

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-amino-4-ethoxyphenyl)benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-(3-amino-4-ethoxyphenyl)benzimidazol-1-yl]ethanol (CID 82149308) is 2-[2-(3-amino-4-ethoxyphenyl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-(3-amino-4-ethoxyphenyl)benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-(3-amino-4-ethoxyphenyl)benzimidazol-1-yl]ethanol is CCOc1ccc(-c2nc3ccccc3n2CCO)cc1N.
What is the InChIKey of 2-[2-(3-amino-4-ethoxyphenyl)benzimidazol-1-yl]ethanol?
The InChIKey is HPMHZORYUMAECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-2-22-16-8-7-12(11-13(16)18)17-19-14-5-3-4-6-15(14)20(17)9-10-21/h3-8,11,21H,2,9-10,18H2,1H3.
What are the key properties of 2-[2-(3-amino-4-ethoxyphenyl)benzimidazol-1-yl]ethanol?
2-[2-(3-amino-4-ethoxyphenyl)benzimidazol-1-yl]ethanol has a molecular weight of 297.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-amino-4-ethoxyphenyl)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 82149308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).