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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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).