2-(benzimidazol-1-yl)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide

C18H18N4O3 — CID 135576859

IUPAC2-(benzimidazol-1-yl)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
SMILESCCOc1cc(/C=N/NC(=O)Cn2cnc3ccccc32)ccc1O
InChIInChI=1S/C18H18N4O3/c1-2-25-17-9-13(7-8-16(17)23)10-20-21-18(24)11-22-12-19-14-5-3-4-6-15(14)22/h3-10,12,23H,2,11H2,1H3,(H,21,24)/b20-10+
InChIKeyRVCKFBICUSHAOD-KEBDBYFISA-N
MW338.37 g/mol
LogP2.29
Rot. Bonds6

About 2-(benzimidazol-1-yl)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide

2-(benzimidazol-1-yl)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135576859) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135576859
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name2-(benzimidazol-1-yl)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
SMILESCCOc1cc(/C=N/NC(=O)Cn2cnc3ccccc32)ccc1O
InChIInChI=1S/C18H18N4O3/c1-2-25-17-9-13(7-8-16(17)23)10-20-21-18(24)11-22-12-19-14-5-3-4-6-15(14)22/h3-10,12,23H,2,11H2,1H3,(H,21,24)/b20-10+
InChIKeyRVCKFBICUSHAOD-KEBDBYFISA-N
XLogP2.29
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(benzimidazol-1-yl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136744917
2-(benzimidazol-1-yl)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
CID 17086257
2-(benzimidazol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 1184903
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-oxoquinazolin-3-yl)acetamide
CID 135541141
2-(benzimidazol-1-yl)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 6900476
3-(benzotriazol-1-yl)-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]propanamide
CID 136757604
2-(benzimidazol-1-yl)-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
CID 9121187
N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide
CID 135884833
N-[(Z)-(4-anilinophenyl)methylideneamino]-2-(benzimidazol-1-yl)acetamide
CID 9044974
N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]decanediamide
CID 135458926
[2-[(2Z)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
CID 135422189
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 136750584

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide (CID 135576859) is 2-(benzimidazol-1-yl)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide is CCOc1cc(/C=N/NC(=O)Cn2cnc3ccccc32)ccc1O.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is RVCKFBICUSHAOD-KEBDBYFISA-N. The full InChI is InChI=1S/C18H18N4O3/c1-2-25-17-9-13(7-8-16(17)23)10-20-21-18(24)11-22-12-19-14-5-3-4-6-15(14)22/h3-10,12,23H,2,11H2,1H3,(H,21,24)/b20-10+.
What are the key properties of 2-(benzimidazol-1-yl)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide?
2-(benzimidazol-1-yl)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 338.37 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135576859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).