1-N',4-N'-diphenylbenzene-1,4-dicarboximidamide;dihydrochloride

C20H20Cl2N4 — CID 131872163

IUPAC1-N',4-N'-diphenylbenzene-1,4-dicarboximidamide;dihydrochloride
SMILESCl.Cl.N/C(=N\c1ccccc1)c1ccc(/C(N)=N/c2ccccc2)cc1
InChIInChI=1S/C20H18N4.2ClH/c21-19(23-17-7-3-1-4-8-17)15-11-13-16(14-12-15)20(22)24-18-9-5-2-6-10-18;;/h1-14H,(H2,21,23)(H2,22,24);2*1H
InChIKeyQSWZHBGETDMUGJ-UHFFFAOYSA-N
MW387.31 g/mol
LogP4.60
Rot. Bonds4

About 1-N',4-N'-diphenylbenzene-1,4-dicarboximidamide;dihydrochloride

1-N',4-N'-diphenylbenzene-1,4-dicarboximidamide;dihydrochloride (PubChem CID 131872163) has the molecular formula C20H20Cl2N4 and a molecular weight of 387.31 g/mol. Its IUPAC name is 1-N',4-N'-diphenylbenzene-1,4-dicarboximidamide;dihydrochloride.

Molecular Properties

Compound Name1-N',4-N'-diphenylbenzene-1,4-dicarboximidamide;dihydrochloride
PubChem CID131872163
Molecular FormulaC20H20Cl2N4
Molecular Weight387.31 g/mol
Exact Mass386.11
IUPAC Name1-N',4-N'-diphenylbenzene-1,4-dicarboximidamide;dihydrochloride
SMILESCl.Cl.N/C(=N\c1ccccc1)c1ccc(/C(N)=N/c2ccccc2)cc1
InChIInChI=1S/C20H18N4.2ClH/c21-19(23-17-7-3-1-4-8-17)15-11-13-16(14-12-15)20(22)24-18-9-5-2-6-10-18;;/h1-14H,(H2,21,23)(H2,22,24);2*1H
InChIKeyQSWZHBGETDMUGJ-UHFFFAOYSA-N
XLogP4.60
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 54.60
H-Bond Donors ≤ 52
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 1-N',4-N'-diphenylbenzene-1,4-dicarboximidamide;dihydrochloride?
The IUPAC name of 1-N',4-N'-diphenylbenzene-1,4-dicarboximidamide;dihydrochloride (CID 131872163) is 1-N',4-N'-diphenylbenzene-1,4-dicarboximidamide;dihydrochloride.
What is the SMILES notation for 1-N',4-N'-diphenylbenzene-1,4-dicarboximidamide;dihydrochloride?
The canonical SMILES for 1-N',4-N'-diphenylbenzene-1,4-dicarboximidamide;dihydrochloride is Cl.Cl.N/C(=N\c1ccccc1)c1ccc(/C(N)=N/c2ccccc2)cc1.
What is the InChIKey of 1-N',4-N'-diphenylbenzene-1,4-dicarboximidamide;dihydrochloride?
The InChIKey is QSWZHBGETDMUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4.2ClH/c21-19(23-17-7-3-1-4-8-17)15-11-13-16(14-12-15)20(22)24-18-9-5-2-6-10-18;;/h1-14H,(H2,21,23)(H2,22,24);2*1H.
What are the key properties of 1-N',4-N'-diphenylbenzene-1,4-dicarboximidamide;dihydrochloride?
1-N',4-N'-diphenylbenzene-1,4-dicarboximidamide;dihydrochloride has a molecular weight of 387.31 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',4-N'-diphenylbenzene-1,4-dicarboximidamide;dihydrochloride is sourced from PubChem (CID 131872163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).