2-[(E)-2-phenylethenyl]-10H-imidazo[4,5-b]phenazine

C21H14N4 — CID 137007125

IUPAC2-[(E)-2-phenylethenyl]-10H-imidazo[4,5-b]phenazine
SMILESC(=C/c1nc2cc3nc4ccccc4[nH]c3cc2n1)\c1ccccc1
InChIInChI=1S/C21H14N4/c1-2-6-14(7-3-1)10-11-21-24-19-12-17-18(13-20(19)25-21)23-16-9-5-4-8-15(16)22-17/h1-13,22H/b11-10+
InChIKeyMLWHDLAKEFQLBR-ZHACJKMWSA-N
MW322.37 g/mol
LogP4.83
Rot. Bonds2

About 2-[(E)-2-phenylethenyl]-10H-imidazo[4,5-b]phenazine

2-[(E)-2-phenylethenyl]-10H-imidazo[4,5-b]phenazine (PubChem CID 137007125) has the molecular formula C21H14N4 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]-10H-imidazo[4,5-b]phenazine.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]-10H-imidazo[4,5-b]phenazine
PubChem CID137007125
Molecular FormulaC21H14N4
Molecular Weight322.37 g/mol
Exact Mass322.12
IUPAC Name2-[(E)-2-phenylethenyl]-10H-imidazo[4,5-b]phenazine
SMILESC(=C/c1nc2cc3nc4ccccc4[nH]c3cc2n1)\c1ccccc1
InChIInChI=1S/C21H14N4/c1-2-6-14(7-3-1)10-11-21-24-19-12-17-18(13-20(19)25-21)23-16-9-5-4-8-15(16)22-17/h1-13,22H/b11-10+
InChIKeyMLWHDLAKEFQLBR-ZHACJKMWSA-N
XLogP4.83
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3,4,5,6-pentafluorophenyl)-10H-imidazo[4,5-b]phenazine
CID 137252164
N-[(Z)-2-phenylethenyl]-1H-benzimidazol-2-amine
CID 155804592
3-(1H-benzimidazol-2-yl)-5-[(E)-2-phenylethenyl]-1,2-oxazole
CID 135470365
6-chloro-2-(2-phenylethenyl)-1H-benzimidazole
CID 73193180
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
4-[2-(1H-benzimidazol-2-yl)ethenyl]aniline
CID 2749986
2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole
CID 6048083
6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole;ethane
CID 91356602
6,7-difluoro-3-[(E)-2-phenylethenyl]-1H-quinoxalin-2-one
CID 22341125
N-ethyl-2-(2-phenylethenyl)quinazolin-4-amine
CID 58017075
2,5-bis[(E)-2-phenylethenyl]-1H-pyrrole
CID 102597288
4-[2-(1H-benzimidazol-2-yl)ethenyl]-1,2-oxazole
CID 67417408

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]-10H-imidazo[4,5-b]phenazine?
The IUPAC name of 2-[(E)-2-phenylethenyl]-10H-imidazo[4,5-b]phenazine (CID 137007125) is 2-[(E)-2-phenylethenyl]-10H-imidazo[4,5-b]phenazine.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]-10H-imidazo[4,5-b]phenazine?
The canonical SMILES for 2-[(E)-2-phenylethenyl]-10H-imidazo[4,5-b]phenazine is C(=C/c1nc2cc3nc4ccccc4[nH]c3cc2n1)\c1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]-10H-imidazo[4,5-b]phenazine?
The InChIKey is MLWHDLAKEFQLBR-ZHACJKMWSA-N. The full InChI is InChI=1S/C21H14N4/c1-2-6-14(7-3-1)10-11-21-24-19-12-17-18(13-20(19)25-21)23-16-9-5-4-8-15(16)22-17/h1-13,22H/b11-10+.
What are the key properties of 2-[(E)-2-phenylethenyl]-10H-imidazo[4,5-b]phenazine?
2-[(E)-2-phenylethenyl]-10H-imidazo[4,5-b]phenazine has a molecular weight of 322.37 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]-10H-imidazo[4,5-b]phenazine is sourced from PubChem (CID 137007125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).