9-amino-2-(2-amino-6-methylphenyl)-1H-phenanthro[9,10-d]imidazol-6-ol;butane

C26H28N4O — CID 143466331

IUPAC9-amino-2-(2-amino-6-methylphenyl)-1H-phenanthro[9,10-d]imidazol-6-ol;butane
SMILESCCCC.Cc1cccc(N)c1-c1nc2c3ccc(O)cc3c3cc(N)ccc3c2[nH]1
InChIInChI=1S/C22H18N4O.C4H10/c1-11-3-2-4-18(24)19(11)22-25-20-14-7-5-12(23)9-16(14)17-10-13(27)6-8-15(17)21(20)26-22;1-3-4-2/h2-10,27H,23-24H2,1H3,(H,25,26);3-4H2,1-2H3
InChIKeyOWICTRPPQDWTOA-UHFFFAOYSA-N
MW412.54 g/mol
LogP6.52
Rot. Bonds2

About 9-amino-2-(2-amino-6-methylphenyl)-1H-phenanthro[9,10-d]imidazol-6-ol;butane

9-amino-2-(2-amino-6-methylphenyl)-1H-phenanthro[9,10-d]imidazol-6-ol;butane (PubChem CID 143466331) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 9-amino-2-(2-amino-6-methylphenyl)-1H-phenanthro[9,10-d]imidazol-6-ol;butane.

Molecular Properties

Compound Name9-amino-2-(2-amino-6-methylphenyl)-1H-phenanthro[9,10-d]imidazol-6-ol;butane
PubChem CID143466331
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name9-amino-2-(2-amino-6-methylphenyl)-1H-phenanthro[9,10-d]imidazol-6-ol;butane
SMILESCCCC.Cc1cccc(N)c1-c1nc2c3ccc(O)cc3c3cc(N)ccc3c2[nH]1
InChIInChI=1S/C22H18N4O.C4H10/c1-11-3-2-4-18(24)19(11)22-25-20-14-7-5-12(23)9-16(14)17-10-13(27)6-8-15(17)21(20)26-22;1-3-4-2/h2-10,27H,23-24H2,1H3,(H,25,26);3-4H2,1-2H3
InChIKeyOWICTRPPQDWTOA-UHFFFAOYSA-N
XLogP6.52
TPSA100.95 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 56.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-amino-2-(2-amino-6-methylphenyl)-1H-phenanthro[9,10-d]imidazol-6-ol;butane?
The IUPAC name of 9-amino-2-(2-amino-6-methylphenyl)-1H-phenanthro[9,10-d]imidazol-6-ol;butane (CID 143466331) is 9-amino-2-(2-amino-6-methylphenyl)-1H-phenanthro[9,10-d]imidazol-6-ol;butane.
What is the SMILES notation for 9-amino-2-(2-amino-6-methylphenyl)-1H-phenanthro[9,10-d]imidazol-6-ol;butane?
The canonical SMILES for 9-amino-2-(2-amino-6-methylphenyl)-1H-phenanthro[9,10-d]imidazol-6-ol;butane is CCCC.Cc1cccc(N)c1-c1nc2c3ccc(O)cc3c3cc(N)ccc3c2[nH]1.
What is the InChIKey of 9-amino-2-(2-amino-6-methylphenyl)-1H-phenanthro[9,10-d]imidazol-6-ol;butane?
The InChIKey is OWICTRPPQDWTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O.C4H10/c1-11-3-2-4-18(24)19(11)22-25-20-14-7-5-12(23)9-16(14)17-10-13(27)6-8-15(17)21(20)26-22;1-3-4-2/h2-10,27H,23-24H2,1H3,(H,25,26);3-4H2,1-2H3.
What are the key properties of 9-amino-2-(2-amino-6-methylphenyl)-1H-phenanthro[9,10-d]imidazol-6-ol;butane?
9-amino-2-(2-amino-6-methylphenyl)-1H-phenanthro[9,10-d]imidazol-6-ol;butane has a molecular weight of 412.54 g/mol, XLogP of 6.52, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2-(2-amino-6-methylphenyl)-1H-phenanthro[9,10-d]imidazol-6-ol;butane is sourced from PubChem (CID 143466331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).