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

C20H21Cl2N5 — CID 90665224

IUPAC4-[3-amino-5-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1ccc(-c2cc(N)cc(-c3ccc(/C(N)=N/[H])cc3)c2)cc1
InChIInChI=1S/C20H19N5.2ClH/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);2*1H
InChIKeyUGNQZKLMUIKBGD-UHFFFAOYSA-N
MW402.33 g/mol
LogP4.01
Rot. Bonds4

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

4-[3-amino-5-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide;dihydrochloride (PubChem CID 90665224) has the molecular formula C20H21Cl2N5 and a molecular weight of 402.33 g/mol. Its IUPAC name is 4-[3-amino-5-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide;dihydrochloride.

Molecular Properties

Compound Name4-[3-amino-5-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide;dihydrochloride
PubChem CID90665224
Molecular FormulaC20H21Cl2N5
Molecular Weight402.33 g/mol
Exact Mass401.12
IUPAC Name4-[3-amino-5-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1ccc(-c2cc(N)cc(-c3ccc(/C(N)=N/[H])cc3)c2)cc1
InChIInChI=1S/C20H19N5.2ClH/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);2*1H
InChIKeyUGNQZKLMUIKBGD-UHFFFAOYSA-N
XLogP4.01
TPSA125.76 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.33
LogP ≤ 54.01
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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Related Compounds

8-Aminonaphthalene-2-Carboximidamide
CID 21707080
4-[3-(4-Carbamimidoylphenyl)-5-nitrophenyl]benzenecarboximidamide;dihydrochloride
CID 90664355
4-[3-(4-Carbamimidoylphenyl)phenyl]benzenecarboximidamide;dihydrochloride
CID 90664357
3-[3-(4-Carbamimidoylphenyl)phenyl]benzenecarboximidamide;dihydrochloride
CID 90664364
3-[3-(3-Carbamimidoylphenyl)phenyl]benzenecarboximidamide;dihydrochloride
CID 90664736
N'-[4-[3-[3-[[amino(phenyl)methylidene]amino]phenyl]phenyl]phenyl]benzenecarboximidamide;dihydrochloride
CID 90664994
3-[[4-(4-Carbamimidoylphenyl)phenyl]methyl]benzenecarboximidamide
CID 164617138
6-(4-Aminophenyl)naphthalene-2-carboximidamide
CID 21706825
4-[(3-Phenylanilino)diazenyl]benzenecarboximidamide
CID 118687624
3-(4-Methylphenyl)-5-phenylaniline
CID 13510411
N-[4-[3-[3-(benzenecarboximidoylamino)phenyl]phenyl]phenyl]benzamidine
CID 71745509
4-[3-(4-Carbamimidoylphenyl)phenyl]benzamidine
CID 71747657

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-5-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide;dihydrochloride?
The IUPAC name of 4-[3-amino-5-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide;dihydrochloride (CID 90665224) is 4-[3-amino-5-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide;dihydrochloride.
What is the SMILES notation for 4-[3-amino-5-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide;dihydrochloride?
The canonical SMILES for 4-[3-amino-5-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide;dihydrochloride is Cl.Cl.[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;dihydrochloride?
The InChIKey is UGNQZKLMUIKBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5.2ClH/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);2*1H.
What are the key properties of 4-[3-amino-5-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide;dihydrochloride?
4-[3-amino-5-(4-carbamimidoylphenyl)phenyl]benzenecarboximidamide;dihydrochloride has a molecular weight of 402.33 g/mol, XLogP of 4.01, 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;dihydrochloride is sourced from PubChem (CID 90665224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).