2-hydroxy-1-[2-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3H-benzimidazol-5-yl]ethanone

C21H21N3O5 — CID 162235197

IUPAC2-hydroxy-1-[2-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3H-benzimidazol-5-yl]ethanone
SMILESO=C(CO)c1ccc2nc(-c3ccccc3OCC(=O)N3CCOCC3)[nH]c2c1
InChIInChI=1S/C21H21N3O5/c25-12-18(26)14-5-6-16-17(11-14)23-21(22-16)15-3-1-2-4-19(15)29-13-20(27)24-7-9-28-10-8-24/h1-6,11,25H,7-10,12-13H2,(H,22,23)
InChIKeyZVYSEACYEBRJOU-UHFFFAOYSA-N
MW395.42 g/mol
LogP1.64
Rot. Bonds6

About 2-hydroxy-1-[2-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3H-benzimidazol-5-yl]ethanone

2-hydroxy-1-[2-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3H-benzimidazol-5-yl]ethanone (PubChem CID 162235197) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-hydroxy-1-[2-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3H-benzimidazol-5-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[2-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3H-benzimidazol-5-yl]ethanone
PubChem CID162235197
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name2-hydroxy-1-[2-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3H-benzimidazol-5-yl]ethanone
SMILESO=C(CO)c1ccc2nc(-c3ccccc3OCC(=O)N3CCOCC3)[nH]c2c1
InChIInChI=1S/C21H21N3O5/c25-12-18(26)14-5-6-16-17(11-14)23-21(22-16)15-3-1-2-4-19(15)29-13-20(27)24-7-9-28-10-8-24/h1-6,11,25H,7-10,12-13H2,(H,22,23)
InChIKeyZVYSEACYEBRJOU-UHFFFAOYSA-N
XLogP1.64
TPSA104.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[2-(2-ethoxyethoxy)phenyl]-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 158016053
2-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxylic acid
CID 67112516
1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548
2-[2-bromo-6-methoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]-1-morpholin-4-ylethanone
CID 19224692
2-(2-bromophenoxy)-1-morpholin-4-ylethanone
CID 725441
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479
2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-morpholin-4-ylethanone
CID 50746017
2-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-morpholin-4-ylethanone
CID 45032720
5-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65456337
1-[2-(2,3-dihydro-1-benzofuran-5-yl)-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 158401557
2-[2-(2-ethoxyethoxy)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690155
2-hydroxy-1-[2-(3-phenylphenyl)-3H-benzimidazol-5-yl]ethanone
CID 157296298

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[2-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3H-benzimidazol-5-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[2-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3H-benzimidazol-5-yl]ethanone (CID 162235197) is 2-hydroxy-1-[2-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3H-benzimidazol-5-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[2-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3H-benzimidazol-5-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[2-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3H-benzimidazol-5-yl]ethanone is O=C(CO)c1ccc2nc(-c3ccccc3OCC(=O)N3CCOCC3)[nH]c2c1.
What is the InChIKey of 2-hydroxy-1-[2-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3H-benzimidazol-5-yl]ethanone?
The InChIKey is ZVYSEACYEBRJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c25-12-18(26)14-5-6-16-17(11-14)23-21(22-16)15-3-1-2-4-19(15)29-13-20(27)24-7-9-28-10-8-24/h1-6,11,25H,7-10,12-13H2,(H,22,23).
What are the key properties of 2-hydroxy-1-[2-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3H-benzimidazol-5-yl]ethanone?
2-hydroxy-1-[2-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3H-benzimidazol-5-yl]ethanone has a molecular weight of 395.42 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[2-[2-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-3H-benzimidazol-5-yl]ethanone is sourced from PubChem (CID 162235197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).