2-(2-bromo-6-fluorophenyl)-8,9-dihydro-1H-phenanthro[9,10-d]imidazole

C21H14BrFN2 — CID 45484163

IUPAC2-(2-bromo-6-fluorophenyl)-8,9-dihydro-1H-phenanthro[9,10-d]imidazole
SMILESFc1cccc(Br)c1-c1nc2c([nH]1)c1c(c3ccccc32)CCC=C1
InChIInChI=1S/C21H14BrFN2/c22-16-10-5-11-17(23)18(16)21-24-19-14-8-3-1-6-12(14)13-7-2-4-9-15(13)20(19)25-21/h1,3-6,8-11H,2,7H2,(H,24,25)
InChIKeyMFCNRMFCPKIPQE-UHFFFAOYSA-N
MW393.26 g/mol
LogP6.24
Rot. Bonds1

About 2-(2-bromo-6-fluorophenyl)-8,9-dihydro-1H-phenanthro[9,10-d]imidazole

2-(2-bromo-6-fluorophenyl)-8,9-dihydro-1H-phenanthro[9,10-d]imidazole (PubChem CID 45484163) has the molecular formula C21H14BrFN2 and a molecular weight of 393.26 g/mol. Its IUPAC name is 2-(2-bromo-6-fluorophenyl)-8,9-dihydro-1H-phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name2-(2-bromo-6-fluorophenyl)-8,9-dihydro-1H-phenanthro[9,10-d]imidazole
PubChem CID45484163
Molecular FormulaC21H14BrFN2
Molecular Weight393.26 g/mol
Exact Mass392.03
IUPAC Name2-(2-bromo-6-fluorophenyl)-8,9-dihydro-1H-phenanthro[9,10-d]imidazole
SMILESFc1cccc(Br)c1-c1nc2c([nH]1)c1c(c3ccccc32)CCC=C1
InChIInChI=1S/C21H14BrFN2/c22-16-10-5-11-17(23)18(16)21-24-19-14-8-3-1-6-12(14)13-7-2-4-9-15(13)20(19)25-21/h1,3-6,8-11H,2,7H2,(H,24,25)
InChIKeyMFCNRMFCPKIPQE-UHFFFAOYSA-N
XLogP6.24
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.26
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-fluorophenyl)-8,9-dihydro-1H-phenanthro[9,10-d]imidazole?
The IUPAC name of 2-(2-bromo-6-fluorophenyl)-8,9-dihydro-1H-phenanthro[9,10-d]imidazole (CID 45484163) is 2-(2-bromo-6-fluorophenyl)-8,9-dihydro-1H-phenanthro[9,10-d]imidazole.
What is the SMILES notation for 2-(2-bromo-6-fluorophenyl)-8,9-dihydro-1H-phenanthro[9,10-d]imidazole?
The canonical SMILES for 2-(2-bromo-6-fluorophenyl)-8,9-dihydro-1H-phenanthro[9,10-d]imidazole is Fc1cccc(Br)c1-c1nc2c([nH]1)c1c(c3ccccc32)CCC=C1.
What is the InChIKey of 2-(2-bromo-6-fluorophenyl)-8,9-dihydro-1H-phenanthro[9,10-d]imidazole?
The InChIKey is MFCNRMFCPKIPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrFN2/c22-16-10-5-11-17(23)18(16)21-24-19-14-8-3-1-6-12(14)13-7-2-4-9-15(13)20(19)25-21/h1,3-6,8-11H,2,7H2,(H,24,25).
What are the key properties of 2-(2-bromo-6-fluorophenyl)-8,9-dihydro-1H-phenanthro[9,10-d]imidazole?
2-(2-bromo-6-fluorophenyl)-8,9-dihydro-1H-phenanthro[9,10-d]imidazole has a molecular weight of 393.26 g/mol, XLogP of 6.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-fluorophenyl)-8,9-dihydro-1H-phenanthro[9,10-d]imidazole is sourced from PubChem (CID 45484163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).