6-[(E)-2-(2-nitrophenyl)ethenyl]-5,6-dihydrobenzimidazolo[1,2-c]quinazoline

C22H16N4O2 — CID 135676290

IUPAC6-[(E)-2-(2-nitrophenyl)ethenyl]-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
SMILESO=[N+]([O-])c1ccccc1/C=C/C1Nc2ccccc2-c2nc3ccccc3n21
InChIInChI=1S/C22H16N4O2/c27-26(28)19-11-5-1-7-15(19)13-14-21-23-17-9-3-2-8-16(17)22-24-18-10-4-6-12-20(18)25(21)22/h1-14,21,23H/b14-13+
InChIKeyDLQGISXKTQZHIR-BUHFOSPRSA-N
MW368.40 g/mol
LogP5.25
Rot. Bonds3

About 6-[(E)-2-(2-nitrophenyl)ethenyl]-5,6-dihydrobenzimidazolo[1,2-c]quinazoline

6-[(E)-2-(2-nitrophenyl)ethenyl]-5,6-dihydrobenzimidazolo[1,2-c]quinazoline (PubChem CID 135676290) has the molecular formula C22H16N4O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 6-[(E)-2-(2-nitrophenyl)ethenyl]-5,6-dihydrobenzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-[(E)-2-(2-nitrophenyl)ethenyl]-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
PubChem CID135676290
Molecular FormulaC22H16N4O2
Molecular Weight368.40 g/mol
Exact Mass368.13
IUPAC Name6-[(E)-2-(2-nitrophenyl)ethenyl]-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
SMILESO=[N+]([O-])c1ccccc1/C=C/C1Nc2ccccc2-c2nc3ccccc3n21
InChIInChI=1S/C22H16N4O2/c27-26(28)19-11-5-1-7-15(19)13-14-21-23-17-9-3-2-8-16(17)22-24-18-10-4-6-12-20(18)25(21)22/h1-14,21,23H/b14-13+
InChIKeyDLQGISXKTQZHIR-BUHFOSPRSA-N
XLogP5.25
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.40
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-nitrophenyl)ethenyl]-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 171129777
(6R)-6-(4-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 752491
(2S)-3-(4-methoxyphenyl)-2-[(E)-2-(2-nitrophenyl)ethenyl]-1,2-dihydroquinazolin-4-one
CID 9011771
4-chloro-2-[(6R)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]-6-nitrophenol
CID 135874270
2-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-4-nitrophenol
CID 3956379
(6S)-6-phenyl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 731211
3-[(E)-2-(2-nitrophenyl)ethenyl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
CID 60525795
4-[(E)-2-(2-nitrophenyl)ethenyl]piperidine
CID 89361695
(6R)-6-pyridin-2-yl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 733578
2-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol
CID 5193552
2-[(6R)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]aniline
CID 139076751
3-[(E)-2-(2-nitrophenyl)ethenyl]-1-pentylquinoxalin-2-one
CID 102261988

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(2-nitrophenyl)ethenyl]-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-[(E)-2-(2-nitrophenyl)ethenyl]-5,6-dihydrobenzimidazolo[1,2-c]quinazoline (CID 135676290) is 6-[(E)-2-(2-nitrophenyl)ethenyl]-5,6-dihydrobenzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-[(E)-2-(2-nitrophenyl)ethenyl]-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-[(E)-2-(2-nitrophenyl)ethenyl]-5,6-dihydrobenzimidazolo[1,2-c]quinazoline is O=[N+]([O-])c1ccccc1/C=C/C1Nc2ccccc2-c2nc3ccccc3n21.
What is the InChIKey of 6-[(E)-2-(2-nitrophenyl)ethenyl]-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
The InChIKey is DLQGISXKTQZHIR-BUHFOSPRSA-N. The full InChI is InChI=1S/C22H16N4O2/c27-26(28)19-11-5-1-7-15(19)13-14-21-23-17-9-3-2-8-16(17)22-24-18-10-4-6-12-20(18)25(21)22/h1-14,21,23H/b14-13+.
What are the key properties of 6-[(E)-2-(2-nitrophenyl)ethenyl]-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
6-[(E)-2-(2-nitrophenyl)ethenyl]-5,6-dihydrobenzimidazolo[1,2-c]quinazoline has a molecular weight of 368.40 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(2-nitrophenyl)ethenyl]-5,6-dihydrobenzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 135676290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).