2-(10-bromoanthracen-9-yl)-1-phenylbenzimidazole

C27H17BrN2 — CID 58894766

IUPAC2-(10-bromoanthracen-9-yl)-1-phenylbenzimidazole
SMILESBrc1c2ccccc2c(-c2nc3ccccc3n2-c2ccccc2)c2ccccc12
InChIInChI=1S/C27H17BrN2/c28-26-21-14-6-4-12-19(21)25(20-13-5-7-15-22(20)26)27-29-23-16-8-9-17-24(23)30(27)18-10-2-1-3-11-18/h1-17H
InChIKeyZEEAVBRCEDDVFJ-UHFFFAOYSA-N
MW449.35 g/mol
LogP7.76
Rot. Bonds2

About 2-(10-bromoanthracen-9-yl)-1-phenylbenzimidazole

2-(10-bromoanthracen-9-yl)-1-phenylbenzimidazole (PubChem CID 58894766) has the molecular formula C27H17BrN2 and a molecular weight of 449.35 g/mol. Its IUPAC name is 2-(10-bromoanthracen-9-yl)-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-(10-bromoanthracen-9-yl)-1-phenylbenzimidazole
PubChem CID58894766
Molecular FormulaC27H17BrN2
Molecular Weight449.35 g/mol
Exact Mass448.06
IUPAC Name2-(10-bromoanthracen-9-yl)-1-phenylbenzimidazole
SMILESBrc1c2ccccc2c(-c2nc3ccccc3n2-c2ccccc2)c2ccccc12
InChIInChI=1S/C27H17BrN2/c28-26-21-14-6-4-12-19(21)25(20-13-5-7-15-22(20)26)27-29-23-16-8-9-17-24(23)30(27)18-10-2-1-3-11-18/h1-17H
InChIKeyZEEAVBRCEDDVFJ-UHFFFAOYSA-N
XLogP7.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.35
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-(10-bromoanthracen-9-yl)-1-phenylbenzimidazole 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-(10-bromoanthracen-9-yl)-1-phenylbenzimidazole?
The IUPAC name of 2-(10-bromoanthracen-9-yl)-1-phenylbenzimidazole (CID 58894766) is 2-(10-bromoanthracen-9-yl)-1-phenylbenzimidazole.
What is the SMILES notation for 2-(10-bromoanthracen-9-yl)-1-phenylbenzimidazole?
The canonical SMILES for 2-(10-bromoanthracen-9-yl)-1-phenylbenzimidazole is Brc1c2ccccc2c(-c2nc3ccccc3n2-c2ccccc2)c2ccccc12.
What is the InChIKey of 2-(10-bromoanthracen-9-yl)-1-phenylbenzimidazole?
The InChIKey is ZEEAVBRCEDDVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17BrN2/c28-26-21-14-6-4-12-19(21)25(20-13-5-7-15-22(20)26)27-29-23-16-8-9-17-24(23)30(27)18-10-2-1-3-11-18/h1-17H.
What are the key properties of 2-(10-bromoanthracen-9-yl)-1-phenylbenzimidazole?
2-(10-bromoanthracen-9-yl)-1-phenylbenzimidazole has a molecular weight of 449.35 g/mol, XLogP of 7.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-bromoanthracen-9-yl)-1-phenylbenzimidazole is sourced from PubChem (CID 58894766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).