3,4-dichloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide

C19H12Cl2N4 — CID 14896609

IUPAC3,4-dichloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide
SMILESN/C(=N\c1ccc2ccc3cccnc3c2n1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H12Cl2N4/c20-14-7-5-13(10-15(14)21)19(22)25-16-8-6-12-4-3-11-2-1-9-23-17(11)18(12)24-16/h1-10H,(H2,22,24,25)
InChIKeyOPKTZENOENPIEB-UHFFFAOYSA-N
MW367.24 g/mol
LogP5.13
Rot. Bonds2

About 3,4-dichloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide

3,4-dichloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide (PubChem CID 14896609) has the molecular formula C19H12Cl2N4 and a molecular weight of 367.24 g/mol. Its IUPAC name is 3,4-dichloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide.

Molecular Properties

Compound Name3,4-dichloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide
PubChem CID14896609
Molecular FormulaC19H12Cl2N4
Molecular Weight367.24 g/mol
Exact Mass366.04
IUPAC Name3,4-dichloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide
SMILESN/C(=N\c1ccc2ccc3cccnc3c2n1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H12Cl2N4/c20-14-7-5-13(10-15(14)21)19(22)25-16-8-6-12-4-3-11-2-1-9-23-17(11)18(12)24-16/h1-10H,(H2,22,24,25)
InChIKeyOPKTZENOENPIEB-UHFFFAOYSA-N
XLogP5.13
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.24
LogP ≤ 55.13
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide?
The IUPAC name of 3,4-dichloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide (CID 14896609) is 3,4-dichloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide.
What is the SMILES notation for 3,4-dichloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide?
The canonical SMILES for 3,4-dichloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide is N/C(=N\c1ccc2ccc3cccnc3c2n1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide?
The InChIKey is OPKTZENOENPIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2N4/c20-14-7-5-13(10-15(14)21)19(22)25-16-8-6-12-4-3-11-2-1-9-23-17(11)18(12)24-16/h1-10H,(H2,22,24,25).
What are the key properties of 3,4-dichloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide?
3,4-dichloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide has a molecular weight of 367.24 g/mol, XLogP of 5.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N'-(1,10-phenanthrolin-2-yl)benzenecarboximidamide is sourced from PubChem (CID 14896609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).