N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide

C17H16N4O2 — CID 135721404

IUPACN-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C17H16N4O2/c1-12-19-15-4-2-3-5-16(15)21(12)11-17(23)20-18-10-13-6-8-14(22)9-7-13/h2-10,22H,11H2,1H3,(H,20,23)/b18-10+
InChIKeyZZBXSWSHQYGVOA-VCHYOVAHSA-N
MW308.34 g/mol
LogP2.20
Rot. Bonds4

About N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide

N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide (PubChem CID 135721404) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
PubChem CID135721404
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)N/N=C/c1ccc(O)cc1
InChIInChI=1S/C17H16N4O2/c1-12-19-15-4-2-3-5-16(15)21(12)11-17(23)20-18-10-13-6-8-14(22)9-7-13/h2-10,22H,11H2,1H3,(H,20,23)/b18-10+
InChIKeyZZBXSWSHQYGVOA-VCHYOVAHSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide (CID 135721404) is N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide is Cc1nc2ccccc2n1CC(=O)N/N=C/c1ccc(O)cc1.
What is the InChIKey of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide?
The InChIKey is ZZBXSWSHQYGVOA-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-12-19-15-4-2-3-5-16(15)21(12)11-17(23)20-18-10-13-6-8-14(22)9-7-13/h2-10,22H,11H2,1H3,(H,20,23)/b18-10+.
What are the key properties of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide?
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide has a molecular weight of 308.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 135721404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).