N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide

C17H16N4O2 — CID 44791043

IUPACN-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide
SMILESCCn1c(/C=N/NC(=O)c2ccccc2O)nc2ccccc21
InChIInChI=1S/C17H16N4O2/c1-2-21-14-9-5-4-8-13(14)19-16(21)11-18-20-17(23)12-7-3-6-10-15(12)22/h3-11,22H,2H2,1H3,(H,20,23)/b18-11+
InChIKeyOLNHYWSJLXATBV-WOJGMQOQSA-N
MW308.34 g/mol
LogP2.53
Rot. Bonds4

About N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide

N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide (PubChem CID 44791043) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide
PubChem CID44791043
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide
SMILESCCn1c(/C=N/NC(=O)c2ccccc2O)nc2ccccc21
InChIInChI=1S/C17H16N4O2/c1-2-21-14-9-5-4-8-13(14)19-16(21)11-18-20-17(23)12-7-3-6-10-15(12)22/h3-11,22H,2H2,1H3,(H,20,23)/b18-11+
InChIKeyOLNHYWSJLXATBV-WOJGMQOQSA-N
XLogP2.53
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-[(1-ethylbenzimidazol-2-yl)methylidene]hydroxylamine
CID 136636081
2-bromo-N-[(1-methylbenzimidazol-2-yl)methylideneamino]benzamide
CID 1349987
2-(2-bromophenoxy)-N-[(1-ethylbenzimidazol-2-yl)methylideneamino]acetamide
CID 4137829
1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate
CID 139069013
N-[(E)-(1-ethyl-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl)methylideneamino]-2-hydroxybenzamide
CID 135469819
N-benzyl-1-(1-ethylbenzimidazol-2-yl)methanimine
CID 921503
2-hydroxy-N-(pentylideneamino)benzamide
CID 3686688
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 136757744
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 5392838
1-ethyl-N-[(2-hydroxyphenyl)methylideneamino]-2-methylbenzimidazole-5-carboxamide
CID 2641917
2-[(1-ethylbenzimidazol-2-yl)methylamino]-N-methylacetamide
CID 60673139
4-[(1-ethylbenzimidazol-2-yl)amino]-N-methylbenzamide
CID 73051445

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide (CID 44791043) is N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide is CCn1c(/C=N/NC(=O)c2ccccc2O)nc2ccccc21.
What is the InChIKey of N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide?
The InChIKey is OLNHYWSJLXATBV-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-2-21-14-9-5-4-8-13(14)19-16(21)11-18-20-17(23)12-7-3-6-10-15(12)22/h3-11,22H,2H2,1H3,(H,20,23)/b18-11+.
What are the key properties of N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide?
N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide has a molecular weight of 308.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-ethylbenzimidazol-2-yl)methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 44791043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).