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

C21H12ClFN2 — CID 24860777

IUPAC2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole
SMILESFc1cccc(Cl)c1-c1nc2c3ccccc3c3ccccc3c2[nH]1
InChIInChI=1S/C21H12ClFN2/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/h1-11H,(H,24,25)
InChIKeyWVNNQKBSDUJVPA-UHFFFAOYSA-N
MW346.79 g/mol
LogP6.33
Rot. Bonds1

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

2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole (PubChem CID 24860777) has the molecular formula C21H12ClFN2 and a molecular weight of 346.79 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole
PubChem CID24860777
Molecular FormulaC21H12ClFN2
Molecular Weight346.79 g/mol
Exact Mass346.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole
SMILESFc1cccc(Cl)c1-c1nc2c3ccccc3c3ccccc3c2[nH]1
InChIInChI=1S/C21H12ClFN2/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/h1-11H,(H,24,25)
InChIKeyWVNNQKBSDUJVPA-UHFFFAOYSA-N
XLogP6.33
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.79
LogP ≤ 56.33
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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Related Compounds

2-(9-Chloro-1h-Phenanthro[9,10-D]imidazol-2-Yl)benzene-1,3-Dicarbonitrile
CID 16070041
4-(3H-Naphtho[1,2-d]imidazol-2-yl)-phenylamine
CID 24747023
2-(6-chloro-9-(3-hydroxy-3-methylbut-1-ynyl)-1H-phenanthro[9,10-d]imidazol-2-yl)isophthalonitrile
CID 11705274
2-(6-chloro-9-(3-hydroxy-3-methylbutyl)-1H-phenanthro[9,10-d]imidazol-2-yl)isophthalonitrile
CID 11712400
4-(2-Chloro-6-fluorophenyl)-15-fluoro-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one
CID 12997805
3-[5-(2-Chloro-phenyl)-7-trifluoromethyl-1H-benzimidazol-2-yl]-1-oxa-2-aza-spiro[4.5]dec-2-ene
CID 135883255
2-(2-Chlorophenyl)-4-methyl-1H-benzimidazole
CID 11160865
2-(2,6-dichlorophenyl)-1H-phenanthro[9,10-d]imidazole
CID 1981993
2-(1H-phenanthro[9,10-d]imidazol-2-yl)isophthalonitrile
CID 11508436
4-(2-Chlorophenyl)-15-fluoro-3,5,10-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),2(6),4,7(12),8,14,16-heptaen-11-one
CID 12997800
2-(1H-phenanthro[9,10-d]imidazol-2-yl)benzonitrile
CID 23146801
6-bromo-2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole
CID 24860912

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole (CID 24860777) is 2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole is Fc1cccc(Cl)c1-c1nc2c3ccccc3c3ccccc3c2[nH]1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole?
The InChIKey is WVNNQKBSDUJVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClFN2/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/h1-11H,(H,24,25).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole?
2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole has a molecular weight of 346.79 g/mol, XLogP of 6.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole is sourced from PubChem (CID 24860777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).