1-(1H-benzimidazol-2-yliminomethyl)naphthalen-2-ol

C18H13N3O — CID 796372

IUPAC1-(1H-benzimidazol-2-yliminomethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C=Nc1nc2ccccc2[nH]1
InChIInChI=1S/C18H13N3O/c22-17-10-9-12-5-1-2-6-13(12)14(17)11-19-18-20-15-7-3-4-8-16(15)21-18/h1-11,22H,(H,20,21)
InChIKeyMNMXYBJKEDSZSG-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.17
Rot. Bonds2

About 1-(1H-benzimidazol-2-yliminomethyl)naphthalen-2-ol

1-(1H-benzimidazol-2-yliminomethyl)naphthalen-2-ol (PubChem CID 796372) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yliminomethyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yliminomethyl)naphthalen-2-ol
PubChem CID796372
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name1-(1H-benzimidazol-2-yliminomethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C=Nc1nc2ccccc2[nH]1
InChIInChI=1S/C18H13N3O/c22-17-10-9-12-5-1-2-6-13(12)14(17)11-19-18-20-15-7-3-4-8-16(15)21-18/h1-11,22H,(H,20,21)
InChIKeyMNMXYBJKEDSZSG-UHFFFAOYSA-N
XLogP4.17
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yliminomethyl)naphthalen-2-ol?
The IUPAC name of 1-(1H-benzimidazol-2-yliminomethyl)naphthalen-2-ol (CID 796372) is 1-(1H-benzimidazol-2-yliminomethyl)naphthalen-2-ol.
What is the SMILES notation for 1-(1H-benzimidazol-2-yliminomethyl)naphthalen-2-ol?
The canonical SMILES for 1-(1H-benzimidazol-2-yliminomethyl)naphthalen-2-ol is Oc1ccc2ccccc2c1C=Nc1nc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-benzimidazol-2-yliminomethyl)naphthalen-2-ol?
The InChIKey is MNMXYBJKEDSZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c22-17-10-9-12-5-1-2-6-13(12)14(17)11-19-18-20-15-7-3-4-8-16(15)21-18/h1-11,22H,(H,20,21).
What are the key properties of 1-(1H-benzimidazol-2-yliminomethyl)naphthalen-2-ol?
1-(1H-benzimidazol-2-yliminomethyl)naphthalen-2-ol has a molecular weight of 287.32 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yliminomethyl)naphthalen-2-ol is sourced from PubChem (CID 796372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).