1-ethyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylbenzimidazole-5-carboxamide

C19H20N4O2 — CID 135519894

IUPAC1-ethyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylbenzimidazole-5-carboxamide
SMILESCCn1c(C)nc2cc(C(=O)N/N=C(\C)c3ccccc3O)ccc21
InChIInChI=1S/C19H20N4O2/c1-4-23-13(3)20-16-11-14(9-10-17(16)23)19(25)22-21-12(2)15-7-5-6-8-18(15)24/h5-11,24H,4H2,1-3H3,(H,22,25)/b21-12+
InChIKeyXRKPKUBQPYIRRP-CIAFOILYSA-N
MW336.40 g/mol
LogP3.22
Rot. Bonds4

About 1-ethyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylbenzimidazole-5-carboxamide

1-ethyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylbenzimidazole-5-carboxamide (PubChem CID 135519894) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-ethyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylbenzimidazole-5-carboxamide
PubChem CID135519894
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-ethyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylbenzimidazole-5-carboxamide
SMILESCCn1c(C)nc2cc(C(=O)N/N=C(\C)c3ccccc3O)ccc21
InChIInChI=1S/C19H20N4O2/c1-4-23-13(3)20-16-11-14(9-10-17(16)23)19(25)22-21-12(2)15-7-5-6-8-18(15)24/h5-11,24H,4H2,1-3H3,(H,22,25)/b21-12+
InChIKeyXRKPKUBQPYIRRP-CIAFOILYSA-N
XLogP3.22
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-(3,5-dimethyl-4-oxidanyl-phenyl)-1-[(1-ethanoylpiperidin-4-yl)methyl]-~{N}-methyl-benzimidazole-5-carboxamide
CID 145946097
N-[1-(2-Diethylamino-ethyl)-1H-benzoimidazol-2-yl]-2-hydroxy-benzamide
CID 1075578
1-ethyl-N-[1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-methylbenzimidazole-5-carboxamide
CID 3665533
N'-[(E)-(2-hydroxyphenyl)methylidene]-2-methyl-1H-benzimidazole-6-carbohydrazide
CID 135509001
N'-(3-Allyl-2-hydroxybenzylidene)-1H-benzimidazole-6-carbohydrazide
CID 135550904
N'-{(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidene}-1H-benzimidazole-6-carbohydrazide
CID 135558932
(2S)-2-amino-N-(6-benzoyl-1H-benzimidazol-2-yl)-3-(4-hydroxyphenyl)propanamide
CID 66552719
5-bromo-2-hydroxy-N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide
CID 73349842
1-Cyclohexyl-2-(2-fluoro-4-hydroxy-phenyl)-1H-benzoimidazole-5-carboxylic acid
CID 135421265
1-Cyclohexyl-2-(4-hydroxy-phenyl)-1H-benzoimidazole-5-carboxylic acid
CID 135477944
3-(4-hydroxy-3,5-dimethylphenyl)-5-[6-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyridazin-6-one
CID 135978796
5-Hydroxy-8,15,17,25,29-pentazahexacyclo[23.3.1.12,6.119,23.08,16.09,14]hentriaconta-1(29),2(31),3,5,9,11,13,15,19,21,23(30),27-dodecaene-18,26-dione
CID 136074299

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylbenzimidazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylbenzimidazole-5-carboxamide (CID 135519894) is 1-ethyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylbenzimidazole-5-carboxamide is CCn1c(C)nc2cc(C(=O)N/N=C(\C)c3ccccc3O)ccc21.
What is the InChIKey of 1-ethyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylbenzimidazole-5-carboxamide?
The InChIKey is XRKPKUBQPYIRRP-CIAFOILYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-4-23-13(3)20-16-11-14(9-10-17(16)23)19(25)22-21-12(2)15-7-5-6-8-18(15)24/h5-11,24H,4H2,1-3H3,(H,22,25)/b21-12+.
What are the key properties of 1-ethyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylbenzimidazole-5-carboxamide?
1-ethyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylbenzimidazole-5-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 135519894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).