5-[(2-amino-5-phenyl-1H-imidazol-4-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide;dihydrochloride

C20H22Cl2N6 — CID 67672739

IUPAC5-[(2-amino-5-phenyl-1H-imidazol-4-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1cccc2c1CCCC2=Nc1nc(N)[nH]c1-c1ccccc1
InChIInChI=1S/C20H20N6.2ClH/c21-18(22)15-10-4-9-14-13(15)8-5-11-16(14)24-19-17(25-20(23)26-19)12-6-2-1-3-7-12;;/h1-4,6-7,9-10H,5,8,11H2,(H3,21,22)(H3,23,25,26);2*1H
InChIKeyONETVJUOAGOODI-UHFFFAOYSA-N
MW417.34 g/mol
LogP4.24
Rot. Bonds3

About 5-[(2-amino-5-phenyl-1H-imidazol-4-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide;dihydrochloride

5-[(2-amino-5-phenyl-1H-imidazol-4-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide;dihydrochloride (PubChem CID 67672739) has the molecular formula C20H22Cl2N6 and a molecular weight of 417.34 g/mol. Its IUPAC name is 5-[(2-amino-5-phenyl-1H-imidazol-4-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide;dihydrochloride.

Molecular Properties

Compound Name5-[(2-amino-5-phenyl-1H-imidazol-4-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide;dihydrochloride
PubChem CID67672739
Molecular FormulaC20H22Cl2N6
Molecular Weight417.34 g/mol
Exact Mass416.13
IUPAC Name5-[(2-amino-5-phenyl-1H-imidazol-4-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide;dihydrochloride
SMILESCl.Cl.[H]/N=C(\N)c1cccc2c1CCCC2=Nc1nc(N)[nH]c1-c1ccccc1
InChIInChI=1S/C20H20N6.2ClH/c21-18(22)15-10-4-9-14-13(15)8-5-11-16(14)24-19-17(25-20(23)26-19)12-6-2-1-3-7-12;;/h1-4,6-7,9-10H,5,8,11H2,(H3,21,22)(H3,23,25,26);2*1H
InChIKeyONETVJUOAGOODI-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
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'}

Analyze 5-[(2-amino-5-phenyl-1H-imidazol-4-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[2-amino-5-(4-methylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide;dihydrochloride
CID 67673913
1-[[2-amino-5-(3,5-dimethylphenyl)-1H-imidazol-4-yl]imino]-2,3-dihydroindene-4-carboximidamide
CID 67672706
5-[(2-amino-4,5-dihydroimidazol-1-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide
CID 57164337
5-oxo-7,8-dihydro-6H-naphthalene-1-carboximidamide;hydrochloride
CID 18937912
(1E)-1-[2-amino-4-(4-chlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide;dihydrochloride
CID 18937950
3-(5-phenyl-1H-pyrrol-2-yl)benzenecarboximidamide
CID 89250354
1-[2-amino-4-(2,4-dichlorophenyl)imidazol-1-yl]imino-2,3-dihydroindene-4-carboximidamide
CID 57306774
1H-benzimidazole;2-phenylbenzenecarboximidamide
CID 158117325
2-(3-bromophenyl)benzenecarboximidamide
CID 6344753
2-(2-phenylphenoxy)pyridine-3-carboximidamide
CID 24699943
N-carbamimidoyl-N-methyl-7-phenyl-1H-indole-2-carboxamide;hydrochloride
CID 70218074
pyridine-2,6-dicarboximidamide
CID 23373306

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-5-phenyl-1H-imidazol-4-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide;dihydrochloride?
The IUPAC name of 5-[(2-amino-5-phenyl-1H-imidazol-4-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide;dihydrochloride (CID 67672739) is 5-[(2-amino-5-phenyl-1H-imidazol-4-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide;dihydrochloride.
What is the SMILES notation for 5-[(2-amino-5-phenyl-1H-imidazol-4-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide;dihydrochloride?
The canonical SMILES for 5-[(2-amino-5-phenyl-1H-imidazol-4-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide;dihydrochloride is Cl.Cl.[H]/N=C(\N)c1cccc2c1CCCC2=Nc1nc(N)[nH]c1-c1ccccc1.
What is the InChIKey of 5-[(2-amino-5-phenyl-1H-imidazol-4-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide;dihydrochloride?
The InChIKey is ONETVJUOAGOODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6.2ClH/c21-18(22)15-10-4-9-14-13(15)8-5-11-16(14)24-19-17(25-20(23)26-19)12-6-2-1-3-7-12;;/h1-4,6-7,9-10H,5,8,11H2,(H3,21,22)(H3,23,25,26);2*1H.
What are the key properties of 5-[(2-amino-5-phenyl-1H-imidazol-4-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide;dihydrochloride?
5-[(2-amino-5-phenyl-1H-imidazol-4-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide;dihydrochloride has a molecular weight of 417.34 g/mol, XLogP of 4.24, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-5-phenyl-1H-imidazol-4-yl)imino]-7,8-dihydro-6H-naphthalene-1-carboximidamide;dihydrochloride is sourced from PubChem (CID 67672739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).