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

C21H15BrN2 — CID 45484130

IUPAC2-(2-bromophenyl)-8,9-dihydro-1H-phenanthro[9,10-d]imidazole
SMILESBrc1ccccc1-c1nc2c([nH]1)c1c(c3ccccc32)CCC=C1
InChIInChI=1S/C21H15BrN2/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/h1,3-7,9-12H,2,8H2,(H,23,24)
InChIKeyQIYYMMPGLAPWDD-UHFFFAOYSA-N
MW375.27 g/mol
LogP6.11
Rot. Bonds1

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

2-(2-bromophenyl)-8,9-dihydro-1H-phenanthro[9,10-d]imidazole (PubChem CID 45484130) has the molecular formula C21H15BrN2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 2-(2-bromophenyl)-8,9-dihydro-1H-phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-8,9-dihydro-1H-phenanthro[9,10-d]imidazole
PubChem CID45484130
Molecular FormulaC21H15BrN2
Molecular Weight375.27 g/mol
Exact Mass374.04
IUPAC Name2-(2-bromophenyl)-8,9-dihydro-1H-phenanthro[9,10-d]imidazole
SMILESBrc1ccccc1-c1nc2c([nH]1)c1c(c3ccccc32)CCC=C1
InChIInChI=1S/C21H15BrN2/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/h1,3-7,9-12H,2,8H2,(H,23,24)
InChIKeyQIYYMMPGLAPWDD-UHFFFAOYSA-N
XLogP6.11
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.27
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-8,9-dihydro-1H-phenanthro[9,10-d]imidazole?
The IUPAC name of 2-(2-bromophenyl)-8,9-dihydro-1H-phenanthro[9,10-d]imidazole (CID 45484130) is 2-(2-bromophenyl)-8,9-dihydro-1H-phenanthro[9,10-d]imidazole.
What is the SMILES notation for 2-(2-bromophenyl)-8,9-dihydro-1H-phenanthro[9,10-d]imidazole?
The canonical SMILES for 2-(2-bromophenyl)-8,9-dihydro-1H-phenanthro[9,10-d]imidazole is Brc1ccccc1-c1nc2c([nH]1)c1c(c3ccccc32)CCC=C1.
What is the InChIKey of 2-(2-bromophenyl)-8,9-dihydro-1H-phenanthro[9,10-d]imidazole?
The InChIKey is QIYYMMPGLAPWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrN2/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/h1,3-7,9-12H,2,8H2,(H,23,24).
What are the key properties of 2-(2-bromophenyl)-8,9-dihydro-1H-phenanthro[9,10-d]imidazole?
2-(2-bromophenyl)-8,9-dihydro-1H-phenanthro[9,10-d]imidazole has a molecular weight of 375.27 g/mol, XLogP of 6.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-8,9-dihydro-1H-phenanthro[9,10-d]imidazole is sourced from PubChem (CID 45484130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).