1-[2-[2-(2-ethoxyethoxy)phenyl]-3H-benzimidazol-5-yl]-2-hydroxyethanone

C19H20N2O4 — CID 158016053

IUPAC1-[2-[2-(2-ethoxyethoxy)phenyl]-3H-benzimidazol-5-yl]-2-hydroxyethanone
SMILESCCOCCOc1ccccc1-c1nc2ccc(C(=O)CO)cc2[nH]1
InChIInChI=1S/C19H20N2O4/c1-2-24-9-10-25-18-6-4-3-5-14(18)19-20-15-8-7-13(17(23)12-22)11-16(15)21-19/h3-8,11,22H,2,9-10,12H2,1H3,(H,20,21)
InChIKeyFFMACIHUJILHPJ-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.82
Rot. Bonds8

About 1-[2-[2-(2-ethoxyethoxy)phenyl]-3H-benzimidazol-5-yl]-2-hydroxyethanone

1-[2-[2-(2-ethoxyethoxy)phenyl]-3H-benzimidazol-5-yl]-2-hydroxyethanone (PubChem CID 158016053) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-[2-[2-(2-ethoxyethoxy)phenyl]-3H-benzimidazol-5-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[2-[2-(2-ethoxyethoxy)phenyl]-3H-benzimidazol-5-yl]-2-hydroxyethanone
PubChem CID158016053
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name1-[2-[2-(2-ethoxyethoxy)phenyl]-3H-benzimidazol-5-yl]-2-hydroxyethanone
SMILESCCOCCOc1ccccc1-c1nc2ccc(C(=O)CO)cc2[nH]1
InChIInChI=1S/C19H20N2O4/c1-2-24-9-10-25-18-6-4-3-5-14(18)19-20-15-8-7-13(17(23)12-22)11-16(15)21-19/h3-8,11,22H,2,9-10,12H2,1H3,(H,20,21)
InChIKeyFFMACIHUJILHPJ-UHFFFAOYSA-N
XLogP2.82
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-ethoxyethoxy)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690155
2-hydroxy-1-[2-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3H-benzimidazol-5-yl]ethanone
CID 162235197
6-methyl-2-[2-[3-[2-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 59378105
1-[2-(3-fluoro-4-phenylphenyl)-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 158696276
2-hydroxy-1-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]ethanone
CID 157296298
2-[2-[5-[2-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole
CID 25255578
2-hydroxy-1-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]ethanone
CID 157105688
1-[2-[5-(2-fluorophenyl)thiophen-2-yl]-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 157232904
1-[2-[2-fluoro-4-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 158420839
N-[5-(6-chloro-1H-benzimidazol-2-yl)-2-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-phenylprop-2-ynamide
CID 141413636
2-[2-(3-methylbutoxy)phenyl]-1H-benzimidazole
CID 168554417
3-[2-(1H-benzimidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine
CID 168554276

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-ethoxyethoxy)phenyl]-3H-benzimidazol-5-yl]-2-hydroxyethanone?
The IUPAC name of 1-[2-[2-(2-ethoxyethoxy)phenyl]-3H-benzimidazol-5-yl]-2-hydroxyethanone (CID 158016053) is 1-[2-[2-(2-ethoxyethoxy)phenyl]-3H-benzimidazol-5-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[2-[2-(2-ethoxyethoxy)phenyl]-3H-benzimidazol-5-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[2-[2-(2-ethoxyethoxy)phenyl]-3H-benzimidazol-5-yl]-2-hydroxyethanone is CCOCCOc1ccccc1-c1nc2ccc(C(=O)CO)cc2[nH]1.
What is the InChIKey of 1-[2-[2-(2-ethoxyethoxy)phenyl]-3H-benzimidazol-5-yl]-2-hydroxyethanone?
The InChIKey is FFMACIHUJILHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-2-24-9-10-25-18-6-4-3-5-14(18)19-20-15-8-7-13(17(23)12-22)11-16(15)21-19/h3-8,11,22H,2,9-10,12H2,1H3,(H,20,21).
What are the key properties of 1-[2-[2-(2-ethoxyethoxy)phenyl]-3H-benzimidazol-5-yl]-2-hydroxyethanone?
1-[2-[2-(2-ethoxyethoxy)phenyl]-3H-benzimidazol-5-yl]-2-hydroxyethanone has a molecular weight of 340.38 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-ethoxyethoxy)phenyl]-3H-benzimidazol-5-yl]-2-hydroxyethanone is sourced from PubChem (CID 158016053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).