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

C21H18N4O2 — CID 135679853

IUPACN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C21H18N4O2/c1-14-23-18-8-4-5-9-19(18)25(14)13-21(27)24-22-12-17-16-7-3-2-6-15(16)10-11-20(17)26/h2-12,26H,13H2,1H3,(H,24,27)/b22-12+
InChIKeyZKPYRVRPXAJFMP-WSDLNYQXSA-N
MW358.40 g/mol
LogP3.35
Rot. Bonds4

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

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide (PubChem CID 135679853) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
PubChem CID135679853
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C21H18N4O2/c1-14-23-18-8-4-5-9-19(18)25(14)13-21(27)24-22-12-17-16-7-3-2-6-15(16)10-11-20(17)26/h2-12,26H,13H2,1H3,(H,24,27)/b22-12+
InChIKeyZKPYRVRPXAJFMP-WSDLNYQXSA-N
XLogP3.35
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.35
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 N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide (CID 135679853) is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide is Cc1nc2ccccc2n1CC(=O)N/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide?
The InChIKey is ZKPYRVRPXAJFMP-WSDLNYQXSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14-23-18-8-4-5-9-19(18)25(14)13-21(27)24-22-12-17-16-7-3-2-6-15(16)10-11-20(17)26/h2-12,26H,13H2,1H3,(H,24,27)/b22-12+.
What are the key properties of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide?
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide has a molecular weight of 358.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 135679853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).