4-[3-amino-5-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide

C20H19N5 — CID 71747843

IUPAC4-[3-amino-5-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cc(N)cc(-c3ccc(/C(N)=N/[H])cc3)c2)cc1
InChIInChI=1S/C20H19N5/c21-18-10-16(12-1-5-14(6-2-12)19(22)23)9-17(11-18)13-3-7-15(8-4-13)20(24)25/h1-11H,21H2,(H3,22,23)(H3,24,25)
InChIKeyNGEZZURGVPBAIE-UHFFFAOYSA-N
MW329.41 g/mol
LogP3.17
Rot. Bonds4

About 4-[3-amino-5-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide

4-[3-amino-5-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide (PubChem CID 71747843) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 4-[3-amino-5-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[3-amino-5-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide
PubChem CID71747843
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name4-[3-amino-5-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cc(N)cc(-c3ccc(/C(N)=N/[H])cc3)c2)cc1
InChIInChI=1S/C20H19N5/c21-18-10-16(12-1-5-14(6-2-12)19(22)23)9-17(11-18)13-3-7-15(8-4-13)20(24)25/h1-11H,21H2,(H3,22,23)(H3,24,25)
InChIKeyNGEZZURGVPBAIE-UHFFFAOYSA-N
XLogP3.17
TPSA125.76 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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-amino-5-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide?
The IUPAC name of 4-[3-amino-5-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide (CID 71747843) is 4-[3-amino-5-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide.
What is the SMILES notation for 4-[3-amino-5-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide?
The canonical SMILES for 4-[3-amino-5-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(-c2cc(N)cc(-c3ccc(/C(N)=N/[H])cc3)c2)cc1.
What is the InChIKey of 4-[3-amino-5-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide?
The InChIKey is NGEZZURGVPBAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c21-18-10-16(12-1-5-14(6-2-12)19(22)23)9-17(11-18)13-3-7-15(8-4-13)20(24)25/h1-11H,21H2,(H3,22,23)(H3,24,25).
What are the key properties of 4-[3-amino-5-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide?
4-[3-amino-5-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide has a molecular weight of 329.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-5-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide is sourced from PubChem (CID 71747843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).