4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]diazenyl]-6-methylisoquinolin-3-amine

C19H18N6 — CID 129262520

IUPAC4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]diazenyl]-6-methylisoquinolin-3-amine
SMILESCc1ccc2cnc(N)c(/N=N/c3ccc(C4=NCCN4)cc3)c2c1
InChIInChI=1S/C19H18N6/c1-12-2-3-14-11-23-18(20)17(16(14)10-12)25-24-15-6-4-13(5-7-15)19-21-8-9-22-19/h2-7,10-11H,8-9H2,1H3,(H2,20,23)(H,21,22)/b25-24+
InChIKeyMMUIMGBXLXUJJL-OCOZRVBESA-N
MW330.40 g/mol
LogP3.89
Rot. Bonds3

About 4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]diazenyl]-6-methylisoquinolin-3-amine

4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]diazenyl]-6-methylisoquinolin-3-amine (PubChem CID 129262520) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is 4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]diazenyl]-6-methylisoquinolin-3-amine.

Molecular Properties

Compound Name4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]diazenyl]-6-methylisoquinolin-3-amine
PubChem CID129262520
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC Name4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]diazenyl]-6-methylisoquinolin-3-amine
SMILESCc1ccc2cnc(N)c(/N=N/c3ccc(C4=NCCN4)cc3)c2c1
InChIInChI=1S/C19H18N6/c1-12-2-3-14-11-23-18(20)17(16(14)10-12)25-24-15-6-4-13(5-7-15)19-21-8-9-22-19/h2-7,10-11H,8-9H2,1H3,(H2,20,23)(H,21,22)/b25-24+
InChIKeyMMUIMGBXLXUJJL-OCOZRVBESA-N
XLogP3.89
TPSA88.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]diazenyl]isoquinolin-3-amine
CID 118687503
2-[6-[(3-amino-6-methylisoquinolin-4-yl)diazenyl]-3-pyridinyl]-2-iminoethanol
CID 162173945
4-[(3-amino-6-bromoisoquinolin-4-yl)diazenyl]-N'-propan-2-ylbenzenecarboximidamide
CID 118687505
2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-7-methylimidazo[1,2-a]pyridine
CID 57163774
3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-4-methylpyridin-2-amine
CID 142291210
2-(4-naphthalen-2-ylphenyl)-4,5-dihydro-1H-imidazole;hydroiodide
CID 158320426
2-[4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-methylphenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
CID 162469328
2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]phenyl]-4,5-dihydro-1H-imidazole
CID 71747659
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 110538768
4-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethynyl]-1H-pyrrolo[2,3-c]pyridin-5-amine;methanethiol
CID 157183778
3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-5-(4-methylphenyl)-2,5-dihydro-1,2-oxazole
CID 57299097
2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1,3-benzoxazole
CID 119091935

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]diazenyl]-6-methylisoquinolin-3-amine?
The IUPAC name of 4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]diazenyl]-6-methylisoquinolin-3-amine (CID 129262520) is 4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]diazenyl]-6-methylisoquinolin-3-amine.
What is the SMILES notation for 4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]diazenyl]-6-methylisoquinolin-3-amine?
The canonical SMILES for 4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]diazenyl]-6-methylisoquinolin-3-amine is Cc1ccc2cnc(N)c(/N=N/c3ccc(C4=NCCN4)cc3)c2c1.
What is the InChIKey of 4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]diazenyl]-6-methylisoquinolin-3-amine?
The InChIKey is MMUIMGBXLXUJJL-OCOZRVBESA-N. The full InChI is InChI=1S/C19H18N6/c1-12-2-3-14-11-23-18(20)17(16(14)10-12)25-24-15-6-4-13(5-7-15)19-21-8-9-22-19/h2-7,10-11H,8-9H2,1H3,(H2,20,23)(H,21,22)/b25-24+.
What are the key properties of 4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]diazenyl]-6-methylisoquinolin-3-amine?
4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]diazenyl]-6-methylisoquinolin-3-amine has a molecular weight of 330.40 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]diazenyl]-6-methylisoquinolin-3-amine is sourced from PubChem (CID 129262520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).