4-[3-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide

C20H18N4 — CID 71747657

IUPAC4-[3-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cccc(-c3ccc(/C(N)=N/[H])cc3)c2)cc1
InChIInChI=1S/C20H18N4/c21-19(22)15-8-4-13(5-9-15)17-2-1-3-18(12-17)14-6-10-16(11-7-14)20(23)24/h1-12H,(H3,21,22)(H3,23,24)
InChIKeyQNPKECKSQVKWSD-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.59
Rot. Bonds4

About 4-[3-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide

4-[3-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide (PubChem CID 71747657) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-[3-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[3-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide
PubChem CID71747657
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name4-[3-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cccc(-c3ccc(/C(N)=N/[H])cc3)c2)cc1
InChIInChI=1S/C20H18N4/c21-19(22)15-8-4-13(5-9-15)17-2-1-3-18(12-17)14-6-10-16(11-7-14)20(23)24/h1-12H,(H3,21,22)(H3,23,24)
InChIKeyQNPKECKSQVKWSD-UHFFFAOYSA-N
XLogP3.59
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.59
H-Bond Donors ≤ 54
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 4-[3-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide?
The IUPAC name of 4-[3-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide (CID 71747657) is 4-[3-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide.
What is the SMILES notation for 4-[3-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide?
The canonical SMILES for 4-[3-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(-c2cccc(-c3ccc(/C(N)=N/[H])cc3)c2)cc1.
What is the InChIKey of 4-[3-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide?
The InChIKey is QNPKECKSQVKWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c21-19(22)15-8-4-13(5-9-15)17-2-1-3-18(12-17)14-6-10-16(11-7-14)20(23)24/h1-12H,(H3,21,22)(H3,23,24).
What are the key properties of 4-[3-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide?
4-[3-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide has a molecular weight of 314.39 g/mol, XLogP of 3.59, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide is sourced from PubChem (CID 71747657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).