2-(2-bromophenyl)-1H-phenanthro[9,10-d]imidazole

C21H13BrN2 — CID 10571377

IUPAC2-(2-bromophenyl)-1H-phenanthro[9,10-d]imidazole
SMILESBrc1ccccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1
InChIInChI=1S/C21H13BrN2/c22-18-12-6-5-11-17(18)21-23-19-15-9-3-1-7-13(15)14-8-2-4-10-16(14)20(19)24-21/h1-12H,(H,23,24)
InChIKeyHHXVSAUGIJTHMT-UHFFFAOYSA-N
MW373.25 g/mol
LogP6.30
Rot. Bonds1

About 2-(2-bromophenyl)-1H-phenanthro[9,10-d]imidazole

2-(2-bromophenyl)-1H-phenanthro[9,10-d]imidazole (PubChem CID 10571377) has the molecular formula C21H13BrN2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1H-phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-1H-phenanthro[9,10-d]imidazole
PubChem CID10571377
Molecular FormulaC21H13BrN2
Molecular Weight373.25 g/mol
Exact Mass372.03
IUPAC Name2-(2-bromophenyl)-1H-phenanthro[9,10-d]imidazole
SMILESBrc1ccccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1
InChIInChI=1S/C21H13BrN2/c22-18-12-6-5-11-17(18)21-23-19-15-9-3-1-7-13(15)14-8-2-4-10-16(14)20(19)24-21/h1-12H,(H,23,24)
InChIKeyHHXVSAUGIJTHMT-UHFFFAOYSA-N
XLogP6.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.25
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1H-phenanthro[9,10-d]imidazole?
The IUPAC name of 2-(2-bromophenyl)-1H-phenanthro[9,10-d]imidazole (CID 10571377) is 2-(2-bromophenyl)-1H-phenanthro[9,10-d]imidazole.
What is the SMILES notation for 2-(2-bromophenyl)-1H-phenanthro[9,10-d]imidazole?
The canonical SMILES for 2-(2-bromophenyl)-1H-phenanthro[9,10-d]imidazole is Brc1ccccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1.
What is the InChIKey of 2-(2-bromophenyl)-1H-phenanthro[9,10-d]imidazole?
The InChIKey is HHXVSAUGIJTHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13BrN2/c22-18-12-6-5-11-17(18)21-23-19-15-9-3-1-7-13(15)14-8-2-4-10-16(14)20(19)24-21/h1-12H,(H,23,24).
What are the key properties of 2-(2-bromophenyl)-1H-phenanthro[9,10-d]imidazole?
2-(2-bromophenyl)-1H-phenanthro[9,10-d]imidazole has a molecular weight of 373.25 g/mol, XLogP of 6.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1H-phenanthro[9,10-d]imidazole is sourced from PubChem (CID 10571377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).