1-[(1-benzylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol

C25H19N3O — CID 1215311

IUPAC1-[(1-benzylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C=Nc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C25H19N3O/c29-24-15-14-19-10-4-5-11-20(19)21(24)16-26-25-27-22-12-6-7-13-23(22)28(25)17-18-8-2-1-3-9-18/h1-16,29H,17H2
InChIKeyWZTXVCOJNVRFPD-UHFFFAOYSA-N
MW377.45 g/mol
LogP5.69
Rot. Bonds4

About 1-[(1-benzylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol

1-[(1-benzylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol (PubChem CID 1215311) has the molecular formula C25H19N3O and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-[(1-benzylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(1-benzylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol
PubChem CID1215311
Molecular FormulaC25H19N3O
Molecular Weight377.45 g/mol
Exact Mass377.15
IUPAC Name1-[(1-benzylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C=Nc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C25H19N3O/c29-24-15-14-19-10-4-5-11-20(19)21(24)16-26-25-27-22-12-6-7-13-23(22)28(25)17-18-8-2-1-3-9-18/h1-16,29H,17H2
InChIKeyWZTXVCOJNVRFPD-UHFFFAOYSA-N
XLogP5.69
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(1-benzylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(1-benzylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol (CID 1215311) is 1-[(1-benzylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(1-benzylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(1-benzylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol is Oc1ccc2ccccc2c1C=Nc1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-[(1-benzylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol?
The InChIKey is WZTXVCOJNVRFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O/c29-24-15-14-19-10-4-5-11-20(19)21(24)16-26-25-27-22-12-6-7-13-23(22)28(25)17-18-8-2-1-3-9-18/h1-16,29H,17H2.
What are the key properties of 1-[(1-benzylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol?
1-[(1-benzylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol has a molecular weight of 377.45 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylbenzimidazol-2-yl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 1215311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).