N-[amino(phenyl)methylidene]-2-(1,3-benzoxazol-2-yl)-N'-benzylnaphthalene-1-carboximidamide

C32H24N4O — CID 166656801

IUPACN-[amino(phenyl)methylidene]-2-(1,3-benzoxazol-2-yl)-N'-benzylnaphthalene-1-carboximidamide
SMILESN/C(=N\C(=N/Cc1ccccc1)c1c(-c2nc3ccccc3o2)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C32H24N4O/c33-30(24-14-5-2-6-15-24)36-31(34-21-22-11-3-1-4-12-22)29-25-16-8-7-13-23(25)19-20-26(29)32-35-27-17-9-10-18-28(27)37-32/h1-20H,21H2,(H2,33,34,36)
InChIKeyBTZQVYMPOCHFEK-UHFFFAOYSA-N
MW480.57 g/mol
LogP7.00
Rot. Bonds5

About N-[amino(phenyl)methylidene]-2-(1,3-benzoxazol-2-yl)-N'-benzylnaphthalene-1-carboximidamide

N-[amino(phenyl)methylidene]-2-(1,3-benzoxazol-2-yl)-N'-benzylnaphthalene-1-carboximidamide (PubChem CID 166656801) has the molecular formula C32H24N4O and a molecular weight of 480.57 g/mol. Its IUPAC name is N-[amino(phenyl)methylidene]-2-(1,3-benzoxazol-2-yl)-N'-benzylnaphthalene-1-carboximidamide.

Molecular Properties

Compound NameN-[amino(phenyl)methylidene]-2-(1,3-benzoxazol-2-yl)-N'-benzylnaphthalene-1-carboximidamide
PubChem CID166656801
Molecular FormulaC32H24N4O
Molecular Weight480.57 g/mol
Exact Mass480.20
IUPAC NameN-[amino(phenyl)methylidene]-2-(1,3-benzoxazol-2-yl)-N'-benzylnaphthalene-1-carboximidamide
SMILESN/C(=N\C(=N/Cc1ccccc1)c1c(-c2nc3ccccc3o2)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C32H24N4O/c33-30(24-14-5-2-6-15-24)36-31(34-21-22-11-3-1-4-12-22)29-25-16-8-7-13-23(25)19-20-26(29)32-35-27-17-9-10-18-28(27)37-32/h1-20H,21H2,(H2,33,34,36)
InChIKeyBTZQVYMPOCHFEK-UHFFFAOYSA-N
XLogP7.00
TPSA76.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.57
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[amino(phenyl)methylidene]-2-(1,3-benzoxazol-2-yl)-N'-benzylnaphthalene-1-carboximidamide?
The IUPAC name of N-[amino(phenyl)methylidene]-2-(1,3-benzoxazol-2-yl)-N'-benzylnaphthalene-1-carboximidamide (CID 166656801) is N-[amino(phenyl)methylidene]-2-(1,3-benzoxazol-2-yl)-N'-benzylnaphthalene-1-carboximidamide.
What is the SMILES notation for N-[amino(phenyl)methylidene]-2-(1,3-benzoxazol-2-yl)-N'-benzylnaphthalene-1-carboximidamide?
The canonical SMILES for N-[amino(phenyl)methylidene]-2-(1,3-benzoxazol-2-yl)-N'-benzylnaphthalene-1-carboximidamide is N/C(=N\C(=N/Cc1ccccc1)c1c(-c2nc3ccccc3o2)ccc2ccccc12)c1ccccc1.
What is the InChIKey of N-[amino(phenyl)methylidene]-2-(1,3-benzoxazol-2-yl)-N'-benzylnaphthalene-1-carboximidamide?
The InChIKey is BTZQVYMPOCHFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N4O/c33-30(24-14-5-2-6-15-24)36-31(34-21-22-11-3-1-4-12-22)29-25-16-8-7-13-23(25)19-20-26(29)32-35-27-17-9-10-18-28(27)37-32/h1-20H,21H2,(H2,33,34,36).
What are the key properties of N-[amino(phenyl)methylidene]-2-(1,3-benzoxazol-2-yl)-N'-benzylnaphthalene-1-carboximidamide?
N-[amino(phenyl)methylidene]-2-(1,3-benzoxazol-2-yl)-N'-benzylnaphthalene-1-carboximidamide has a molecular weight of 480.57 g/mol, XLogP of 7.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(phenyl)methylidene]-2-(1,3-benzoxazol-2-yl)-N'-benzylnaphthalene-1-carboximidamide is sourced from PubChem (CID 166656801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).