2-(2,3,4,5,6-pentafluorophenyl)-10H-imidazo[4,5-b]phenazine

C19H7F5N4 — CID 137252164

IUPAC2-(2,3,4,5,6-pentafluorophenyl)-10H-imidazo[4,5-b]phenazine
SMILESFc1c(F)c(F)c(-c2nc3cc4nc5ccccc5[nH]c4cc3n2)c(F)c1F
InChIInChI=1S/C19H7F5N4/c20-14-13(15(21)17(23)18(24)16(14)22)19-27-11-5-9-10(6-12(11)28-19)26-8-4-2-1-3-7(8)25-9/h1-6,25H
InChIKeyCQKNVNNGPUFDJM-UHFFFAOYSA-N
MW386.28 g/mol
LogP5.02
Rot. Bonds1

About 2-(2,3,4,5,6-pentafluorophenyl)-10H-imidazo[4,5-b]phenazine

2-(2,3,4,5,6-pentafluorophenyl)-10H-imidazo[4,5-b]phenazine (PubChem CID 137252164) has the molecular formula C19H7F5N4 and a molecular weight of 386.28 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentafluorophenyl)-10H-imidazo[4,5-b]phenazine.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentafluorophenyl)-10H-imidazo[4,5-b]phenazine
PubChem CID137252164
Molecular FormulaC19H7F5N4
Molecular Weight386.28 g/mol
Exact Mass386.06
IUPAC Name2-(2,3,4,5,6-pentafluorophenyl)-10H-imidazo[4,5-b]phenazine
SMILESFc1c(F)c(F)c(-c2nc3cc4nc5ccccc5[nH]c4cc3n2)c(F)c1F
InChIInChI=1S/C19H7F5N4/c20-14-13(15(21)17(23)18(24)16(14)22)19-27-11-5-9-10(6-12(11)28-19)26-8-4-2-1-3-7(8)25-9/h1-6,25H
InChIKeyCQKNVNNGPUFDJM-UHFFFAOYSA-N
XLogP5.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.28
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-2-phenylethenyl]-10H-imidazo[4,5-b]phenazine
CID 137007125
55,56,57,58,59,60,61,62,63,64,65,66-dodecazatridecacyclo[49.3.1.12,5.16,10.111,14.115,19.120,23.124,28.129,32.133,37.138,41.142,46.147,50]hexahexaconta-1(55),2,4,6(65),7,9,11,13,15(63),16,18,20,22,24(61),25,27,29,31,33,35,37(59),38,40,42,44,46(57),47,49,51,53-triacontaene
CID 102362260
2-(4-chloro-2,3,6-trifluorophenyl)-1H-benzimidazole
CID 168555540
2-methyl-1H-benzimidazole
CID 11984
1H-benzimidazol-2-yl(trimethyl)-λ4-sulfane
CID 123457333
CID 67811574
CID 67811574
2-methylselanyl-1H-benzimidazole
CID 583074
1H-benzimidazole-2-thiolate;ethane;zinc
CID 159834857
N,N-dimethyl-1H-benzimidazol-2-amine
CID 17846
S-(1H-benzimidazol-2-yl) 2,3,4,5,6-pentafluorobenzenecarbothioate
CID 3388648
2-(3,5-difluorophenyl)sulfanyl-1H-benzimidazole
CID 177375670
N-(3,5-difluorophenyl)-1H-benzimidazol-2-amine
CID 15604437

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)-10H-imidazo[4,5-b]phenazine?
The IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)-10H-imidazo[4,5-b]phenazine (CID 137252164) is 2-(2,3,4,5,6-pentafluorophenyl)-10H-imidazo[4,5-b]phenazine.
What is the SMILES notation for 2-(2,3,4,5,6-pentafluorophenyl)-10H-imidazo[4,5-b]phenazine?
The canonical SMILES for 2-(2,3,4,5,6-pentafluorophenyl)-10H-imidazo[4,5-b]phenazine is Fc1c(F)c(F)c(-c2nc3cc4nc5ccccc5[nH]c4cc3n2)c(F)c1F.
What is the InChIKey of 2-(2,3,4,5,6-pentafluorophenyl)-10H-imidazo[4,5-b]phenazine?
The InChIKey is CQKNVNNGPUFDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H7F5N4/c20-14-13(15(21)17(23)18(24)16(14)22)19-27-11-5-9-10(6-12(11)28-19)26-8-4-2-1-3-7(8)25-9/h1-6,25H.
What are the key properties of 2-(2,3,4,5,6-pentafluorophenyl)-10H-imidazo[4,5-b]phenazine?
2-(2,3,4,5,6-pentafluorophenyl)-10H-imidazo[4,5-b]phenazine has a molecular weight of 386.28 g/mol, XLogP of 5.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6-pentafluorophenyl)-10H-imidazo[4,5-b]phenazine is sourced from PubChem (CID 137252164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).