3-N'-naphthalen-1-ylbenzene-1,3-dicarboximidamide

C18H16N4 — CID 90655748

IUPAC3-N'-naphthalen-1-ylbenzene-1,3-dicarboximidamide
SMILES[H]/N=C(\N)c1cccc(/C(N)=N/c2cccc3ccccc23)c1
InChIInChI=1S/C18H16N4/c19-17(20)13-7-3-8-14(11-13)18(21)22-16-10-4-6-12-5-1-2-9-15(12)16/h1-11H,(H3,19,20)(H2,21,22)
InChIKeyIHNNMQCDBCUENA-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.16
Rot. Bonds3

About 3-N'-naphthalen-1-ylbenzene-1,3-dicarboximidamide

3-N'-naphthalen-1-ylbenzene-1,3-dicarboximidamide (PubChem CID 90655748) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-N'-naphthalen-1-ylbenzene-1,3-dicarboximidamide.

Molecular Properties

Compound Name3-N'-naphthalen-1-ylbenzene-1,3-dicarboximidamide
PubChem CID90655748
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name3-N'-naphthalen-1-ylbenzene-1,3-dicarboximidamide
SMILES[H]/N=C(\N)c1cccc(/C(N)=N/c2cccc3ccccc23)c1
InChIInChI=1S/C18H16N4/c19-17(20)13-7-3-8-14(11-13)18(21)22-16-10-4-6-12-5-1-2-9-15(12)16/h1-11H,(H3,19,20)(H2,21,22)
InChIKeyIHNNMQCDBCUENA-UHFFFAOYSA-N
XLogP3.16
TPSA88.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 3-N'-naphthalen-1-ylbenzene-1,3-dicarboximidamide?
The IUPAC name of 3-N'-naphthalen-1-ylbenzene-1,3-dicarboximidamide (CID 90655748) is 3-N'-naphthalen-1-ylbenzene-1,3-dicarboximidamide.
What is the SMILES notation for 3-N'-naphthalen-1-ylbenzene-1,3-dicarboximidamide?
The canonical SMILES for 3-N'-naphthalen-1-ylbenzene-1,3-dicarboximidamide is [H]/N=C(\N)c1cccc(/C(N)=N/c2cccc3ccccc23)c1.
What is the InChIKey of 3-N'-naphthalen-1-ylbenzene-1,3-dicarboximidamide?
The InChIKey is IHNNMQCDBCUENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c19-17(20)13-7-3-8-14(11-13)18(21)22-16-10-4-6-12-5-1-2-9-15(12)16/h1-11H,(H3,19,20)(H2,21,22).
What are the key properties of 3-N'-naphthalen-1-ylbenzene-1,3-dicarboximidamide?
3-N'-naphthalen-1-ylbenzene-1,3-dicarboximidamide has a molecular weight of 288.35 g/mol, XLogP of 3.16, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N'-naphthalen-1-ylbenzene-1,3-dicarboximidamide is sourced from PubChem (CID 90655748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).