2-[2-(2-ethoxyethoxy)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide

C18H19N3O4 — CID 122690155

IUPAC2-[2-(2-ethoxyethoxy)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide
SMILESCCOCCOc1ccccc1-c1nc2ccc(C(=O)NO)cc2[nH]1
InChIInChI=1S/C18H19N3O4/c1-2-24-9-10-25-16-6-4-3-5-13(16)17-19-14-8-7-12(18(22)21-23)11-15(14)20-17/h3-8,11,23H,2,9-10H2,1H3,(H,19,20)(H,21,22)
InChIKeyMGYVVPHOBJDEQD-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.76
Rot. Bonds7

About 2-[2-(2-ethoxyethoxy)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide

2-[2-(2-ethoxyethoxy)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide (PubChem CID 122690155) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[2-(2-ethoxyethoxy)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[2-(2-ethoxyethoxy)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide
PubChem CID122690155
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-[2-(2-ethoxyethoxy)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide
SMILESCCOCCOc1ccccc1-c1nc2ccc(C(=O)NO)cc2[nH]1
InChIInChI=1S/C18H19N3O4/c1-2-24-9-10-25-16-6-4-3-5-13(16)17-19-14-8-7-12(18(22)21-23)11-15(14)20-17/h3-8,11,23H,2,9-10H2,1H3,(H,19,20)(H,21,22)
InChIKeyMGYVVPHOBJDEQD-UHFFFAOYSA-N
XLogP2.76
TPSA96.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-(2-ethoxyethoxy)phenyl]-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 158016053
2-(2-chlorophenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690291
N-hydroxy-2-(2-phenylphenyl)-3H-benzimidazole-5-carboxamide
CID 122690172
N-hydroxy-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 122690152
6-methyl-2-[2-[3-[2-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 59378105
2-(2-chlorophenyl)-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 136781377
2-(2-chlorophenyl)-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110527048
2-(2-hydroxyphenyl)-N-[(E)-(2-methoxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 136781271
N-hydroxy-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide
CID 122690256
N-hydroxy-2-(3-phenylphenyl)-3H-benzimidazole-5-carboxamide
CID 122690127
2-[2-[5-[2-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole
CID 25255578
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 136781294

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyethoxy)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[2-(2-ethoxyethoxy)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide (CID 122690155) is 2-[2-(2-ethoxyethoxy)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[2-(2-ethoxyethoxy)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[2-(2-ethoxyethoxy)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide is CCOCCOc1ccccc1-c1nc2ccc(C(=O)NO)cc2[nH]1.
What is the InChIKey of 2-[2-(2-ethoxyethoxy)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide?
The InChIKey is MGYVVPHOBJDEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-2-24-9-10-25-16-6-4-3-5-13(16)17-19-14-8-7-12(18(22)21-23)11-15(14)20-17/h3-8,11,23H,2,9-10H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[2-(2-ethoxyethoxy)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide?
2-[2-(2-ethoxyethoxy)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyethoxy)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 122690155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).