[2-(5-bromofuran-2-yl)-1-methylphenanthro[9,10-d]imidazol-7-yl]-phenylmethanone

C27H17BrN2O2 — CID 15544258

IUPAC[2-(5-bromofuran-2-yl)-1-methylphenanthro[9,10-d]imidazol-7-yl]-phenylmethanone
SMILESCn1c(-c2ccc(Br)o2)nc2c3cccc(C(=O)c4ccccc4)c3c3ccccc3c21
InChIInChI=1S/C27H17BrN2O2/c1-30-25-18-11-6-5-10-17(18)23-19(24(25)29-27(30)21-14-15-22(28)32-21)12-7-13-20(23)26(31)16-8-3-2-4-9-16/h2-15H,1H3
InChIKeyWOUXDOSUAZEUMA-UHFFFAOYSA-N
MW481.35 g/mol
LogP7.13
Rot. Bonds3

About [2-(5-bromofuran-2-yl)-1-methylphenanthro[9,10-d]imidazol-7-yl]-phenylmethanone

[2-(5-bromofuran-2-yl)-1-methylphenanthro[9,10-d]imidazol-7-yl]-phenylmethanone (PubChem CID 15544258) has the molecular formula C27H17BrN2O2 and a molecular weight of 481.35 g/mol. Its IUPAC name is [2-(5-bromofuran-2-yl)-1-methylphenanthro[9,10-d]imidazol-7-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(5-bromofuran-2-yl)-1-methylphenanthro[9,10-d]imidazol-7-yl]-phenylmethanone
PubChem CID15544258
Molecular FormulaC27H17BrN2O2
Molecular Weight481.35 g/mol
Exact Mass480.05
IUPAC Name[2-(5-bromofuran-2-yl)-1-methylphenanthro[9,10-d]imidazol-7-yl]-phenylmethanone
SMILESCn1c(-c2ccc(Br)o2)nc2c3cccc(C(=O)c4ccccc4)c3c3ccccc3c21
InChIInChI=1S/C27H17BrN2O2/c1-30-25-18-11-6-5-10-17(18)23-19(24(25)29-27(30)21-14-15-22(28)32-21)12-7-13-20(23)26(31)16-8-3-2-4-9-16/h2-15H,1H3
InChIKeyWOUXDOSUAZEUMA-UHFFFAOYSA-N
XLogP7.13
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.35
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(5-bromofuran-2-yl)-1-methylphenanthro[9,10-d]imidazol-7-yl]-phenylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromofuran-2-yl)-1-methylphenanthro[9,10-d]imidazol-7-yl]-phenylmethanone?
The IUPAC name of [2-(5-bromofuran-2-yl)-1-methylphenanthro[9,10-d]imidazol-7-yl]-phenylmethanone (CID 15544258) is [2-(5-bromofuran-2-yl)-1-methylphenanthro[9,10-d]imidazol-7-yl]-phenylmethanone.
What is the SMILES notation for [2-(5-bromofuran-2-yl)-1-methylphenanthro[9,10-d]imidazol-7-yl]-phenylmethanone?
The canonical SMILES for [2-(5-bromofuran-2-yl)-1-methylphenanthro[9,10-d]imidazol-7-yl]-phenylmethanone is Cn1c(-c2ccc(Br)o2)nc2c3cccc(C(=O)c4ccccc4)c3c3ccccc3c21.
What is the InChIKey of [2-(5-bromofuran-2-yl)-1-methylphenanthro[9,10-d]imidazol-7-yl]-phenylmethanone?
The InChIKey is WOUXDOSUAZEUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17BrN2O2/c1-30-25-18-11-6-5-10-17(18)23-19(24(25)29-27(30)21-14-15-22(28)32-21)12-7-13-20(23)26(31)16-8-3-2-4-9-16/h2-15H,1H3.
What are the key properties of [2-(5-bromofuran-2-yl)-1-methylphenanthro[9,10-d]imidazol-7-yl]-phenylmethanone?
[2-(5-bromofuran-2-yl)-1-methylphenanthro[9,10-d]imidazol-7-yl]-phenylmethanone has a molecular weight of 481.35 g/mol, XLogP of 7.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromofuran-2-yl)-1-methylphenanthro[9,10-d]imidazol-7-yl]-phenylmethanone is sourced from PubChem (CID 15544258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).