1-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]naphthalen-2-ol

C24H17N3O — CID 1207297

IUPAC1-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C24H17N3O/c28-23-14-13-16-7-1-2-8-17(16)19(23)15-25-20-10-4-3-9-18(20)24-26-21-11-5-6-12-22(21)27-24/h1-15,28H,(H,26,27)/b25-15+
InChIKeyHOCMMTZZDZSGGP-MFKUBSTISA-N
MW363.42 g/mol
LogP5.84
Rot. Bonds3

About 1-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]naphthalen-2-ol

1-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]naphthalen-2-ol (PubChem CID 1207297) has the molecular formula C24H17N3O and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]naphthalen-2-ol
PubChem CID1207297
Molecular FormulaC24H17N3O
Molecular Weight363.42 g/mol
Exact Mass363.14
IUPAC Name1-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C=N/c1ccccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C24H17N3O/c28-23-14-13-16-7-1-2-8-17(16)19(23)15-25-20-10-4-3-9-18(20)24-26-21-11-5-6-12-22(21)27-24/h1-15,28H,(H,26,27)/b25-15+
InChIKeyHOCMMTZZDZSGGP-MFKUBSTISA-N
XLogP5.84
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.42
LogP ≤ 55.84
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-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]naphthalen-2-ol (CID 1207297) is 1-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/C=N/c1ccccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 1-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]naphthalen-2-ol?
The InChIKey is HOCMMTZZDZSGGP-MFKUBSTISA-N. The full InChI is InChI=1S/C24H17N3O/c28-23-14-13-16-7-1-2-8-17(16)19(23)15-25-20-10-4-3-9-18(20)24-26-21-11-5-6-12-22(21)27-24/h1-15,28H,(H,26,27)/b25-15+.
What are the key properties of 1-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]naphthalen-2-ol?
1-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]naphthalen-2-ol has a molecular weight of 363.42 g/mol, XLogP of 5.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 1207297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).