1-[[2-amino-5-(4-methylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide;dihydrochloride

C20H22Cl2N6 — CID 67673913

IUPAC1-[[2-amino-5-(4-methylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1cccc2c1CCC2=Nc1nc(N)[nH]c1-c1ccc(C)cc1
InChIInChI=1S/C20H20N6.2ClH/c1-11-5-7-12(8-6-11)17-19(26-20(23)25-17)24-16-10-9-13-14(16)3-2-4-15(13)18(21)22;;/h2-8H,9-10H2,1H3,(H3,21,22)(H3,23,25,26);2*1H
InChIKeyQUSIKMRWOBMYPG-UHFFFAOYSA-N
MW417.34 g/mol
LogP4.16
Rot. Bonds3

About 1-[[2-amino-5-(4-methylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide;dihydrochloride

1-[[2-amino-5-(4-methylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide;dihydrochloride (PubChem CID 67673913) has the molecular formula C20H22Cl2N6 and a molecular weight of 417.34 g/mol. Its IUPAC name is 1-[[2-amino-5-(4-methylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide;dihydrochloride.

Molecular Properties

Compound Name1-[[2-amino-5-(4-methylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide;dihydrochloride
PubChem CID67673913
Molecular FormulaC20H22Cl2N6
Molecular Weight417.34 g/mol
Exact Mass416.13
IUPAC Name1-[[2-amino-5-(4-methylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1cccc2c1CCC2=Nc1nc(N)[nH]c1-c1ccc(C)cc1
InChIInChI=1S/C20H20N6.2ClH/c1-11-5-7-12(8-6-11)17-19(26-20(23)25-17)24-16-10-9-13-14(16)3-2-4-15(13)18(21)22;;/h2-8H,9-10H2,1H3,(H3,21,22)(H3,23,25,26);2*1H
InChIKeyQUSIKMRWOBMYPG-UHFFFAOYSA-N
XLogP4.16
TPSA116.93 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 54.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[[2-amino-5-(4-methylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide;dihydrochloride?
The IUPAC name of 1-[[2-amino-5-(4-methylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide;dihydrochloride (CID 67673913) is 1-[[2-amino-5-(4-methylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide;dihydrochloride.
What is the SMILES notation for 1-[[2-amino-5-(4-methylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide;dihydrochloride?
The canonical SMILES for 1-[[2-amino-5-(4-methylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)c1cccc2c1CCC2=Nc1nc(N)[nH]c1-c1ccc(C)cc1.
What is the InChIKey of 1-[[2-amino-5-(4-methylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide;dihydrochloride?
The InChIKey is QUSIKMRWOBMYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6.2ClH/c1-11-5-7-12(8-6-11)17-19(26-20(23)25-17)24-16-10-9-13-14(16)3-2-4-15(13)18(21)22;;/h2-8H,9-10H2,1H3,(H3,21,22)(H3,23,25,26);2*1H.
What are the key properties of 1-[[2-amino-5-(4-methylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide;dihydrochloride?
1-[[2-amino-5-(4-methylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide;dihydrochloride has a molecular weight of 417.34 g/mol, XLogP of 4.16, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-amino-5-(4-methylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide;dihydrochloride is sourced from PubChem (CID 67673913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).