1-(1H-imidazol-5-yl)-N-[5-(1H-imidazol-5-ylmethylideneamino)naphthalen-1-yl]methanimine

C18H14N6 — CID 137251453

IUPAC1-(1H-imidazol-5-yl)-N-[5-(1H-imidazol-5-ylmethylideneamino)naphthalen-1-yl]methanimine
SMILESC(=N/c1cccc2c(/N=C/c3cnc[nH]3)cccc12)\c1cnc[nH]1
InChIInChI=1S/C18H14N6/c1-3-15-16(17(5-1)21-9-13-7-19-11-23-13)4-2-6-18(15)22-10-14-8-20-12-24-14/h1-12H,(H,19,23)(H,20,24)/b21-9+,22-10+
InChIKeyOJARWDVSQAIHHH-VGENTYGXSA-N
MW314.35 g/mol
LogP3.79
Rot. Bonds4

About 1-(1H-imidazol-5-yl)-N-[5-(1H-imidazol-5-ylmethylideneamino)naphthalen-1-yl]methanimine

1-(1H-imidazol-5-yl)-N-[5-(1H-imidazol-5-ylmethylideneamino)naphthalen-1-yl]methanimine (PubChem CID 137251453) has the molecular formula C18H14N6 and a molecular weight of 314.35 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-N-[5-(1H-imidazol-5-ylmethylideneamino)naphthalen-1-yl]methanimine.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-N-[5-(1H-imidazol-5-ylmethylideneamino)naphthalen-1-yl]methanimine
PubChem CID137251453
Molecular FormulaC18H14N6
Molecular Weight314.35 g/mol
Exact Mass314.13
IUPAC Name1-(1H-imidazol-5-yl)-N-[5-(1H-imidazol-5-ylmethylideneamino)naphthalen-1-yl]methanimine
SMILESC(=N/c1cccc2c(/N=C/c3cnc[nH]3)cccc12)\c1cnc[nH]1
InChIInChI=1S/C18H14N6/c1-3-15-16(17(5-1)21-9-13-7-19-11-23-13)4-2-6-18(15)22-10-14-8-20-12-24-14/h1-12H,(H,19,23)(H,20,24)/b21-9+,22-10+
InChIKeyOJARWDVSQAIHHH-VGENTYGXSA-N
XLogP3.79
TPSA82.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.79
H-Bond Donors ≤ 52
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-(1H-imidazol-5-yl)-N-[5-(1H-imidazol-5-ylmethylideneamino)naphthalen-1-yl]methanimine?
The IUPAC name of 1-(1H-imidazol-5-yl)-N-[5-(1H-imidazol-5-ylmethylideneamino)naphthalen-1-yl]methanimine (CID 137251453) is 1-(1H-imidazol-5-yl)-N-[5-(1H-imidazol-5-ylmethylideneamino)naphthalen-1-yl]methanimine.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-N-[5-(1H-imidazol-5-ylmethylideneamino)naphthalen-1-yl]methanimine?
The canonical SMILES for 1-(1H-imidazol-5-yl)-N-[5-(1H-imidazol-5-ylmethylideneamino)naphthalen-1-yl]methanimine is C(=N/c1cccc2c(/N=C/c3cnc[nH]3)cccc12)\c1cnc[nH]1.
What is the InChIKey of 1-(1H-imidazol-5-yl)-N-[5-(1H-imidazol-5-ylmethylideneamino)naphthalen-1-yl]methanimine?
The InChIKey is OJARWDVSQAIHHH-VGENTYGXSA-N. The full InChI is InChI=1S/C18H14N6/c1-3-15-16(17(5-1)21-9-13-7-19-11-23-13)4-2-6-18(15)22-10-14-8-20-12-24-14/h1-12H,(H,19,23)(H,20,24)/b21-9+,22-10+.
What are the key properties of 1-(1H-imidazol-5-yl)-N-[5-(1H-imidazol-5-ylmethylideneamino)naphthalen-1-yl]methanimine?
1-(1H-imidazol-5-yl)-N-[5-(1H-imidazol-5-ylmethylideneamino)naphthalen-1-yl]methanimine has a molecular weight of 314.35 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)-N-[5-(1H-imidazol-5-ylmethylideneamino)naphthalen-1-yl]methanimine is sourced from PubChem (CID 137251453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).