8-(4-nitrophenyl)-7H-acenaphthyleno[1,2-d]imidazole

C19H11N3O2 — CID 788015

IUPAC8-(4-nitrophenyl)-7H-acenaphthyleno[1,2-d]imidazole
SMILESO=[N+]([O-])c1ccc(-c2nc3c([nH]2)-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C19H11N3O2/c23-22(24)13-9-7-12(8-10-13)19-20-17-14-5-1-3-11-4-2-6-15(16(11)14)18(17)21-19/h1-10H,(H,20,21)
InChIKeyHXMJYUDWPACKJN-UHFFFAOYSA-N
MW313.32 g/mol
LogP4.79
Rot. Bonds2

About 8-(4-nitrophenyl)-7H-acenaphthyleno[1,2-d]imidazole

8-(4-nitrophenyl)-7H-acenaphthyleno[1,2-d]imidazole (PubChem CID 788015) has the molecular formula C19H11N3O2 and a molecular weight of 313.32 g/mol. Its IUPAC name is 8-(4-nitrophenyl)-7H-acenaphthyleno[1,2-d]imidazole.

Molecular Properties

Compound Name8-(4-nitrophenyl)-7H-acenaphthyleno[1,2-d]imidazole
PubChem CID788015
Molecular FormulaC19H11N3O2
Molecular Weight313.32 g/mol
Exact Mass313.09
IUPAC Name8-(4-nitrophenyl)-7H-acenaphthyleno[1,2-d]imidazole
SMILESO=[N+]([O-])c1ccc(-c2nc3c([nH]2)-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C19H11N3O2/c23-22(24)13-9-7-12(8-10-13)19-20-17-14-5-1-3-11-4-2-6-15(16(11)14)18(17)21-19/h1-10H,(H,20,21)
InChIKeyHXMJYUDWPACKJN-UHFFFAOYSA-N
XLogP4.79
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

8-[3-(7H-acenaphthyleno[1,2-d]imidazol-8-yl)phenyl]-7H-acenaphthyleno[1,2-d]imidazole
CID 10917492
4-(4-nitrophenyl)-2-[4-[4-(4-nitrophenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 135420019
4,5-bis(4-iodophenyl)-2-(4-nitrophenyl)-1H-imidazole
CID 177443254
methanol;bis(2-(4-nitrophenyl)-4,5-diphenyl-1H-imidazole)
CID 139060721
4-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]aniline
CID 141021158
4,5-bis(4-chlorophenyl)-2-(4-nitrophenyl)-1H-imidazole
CID 2832814
4-[4-(4-aminophenyl)-2-[4-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazol-5-yl]aniline
CID 101105768
4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridine
CID 4712
4-[4-(4-aminophenyl)-2-[4-[(4-nitrophenyl)diazenyl]phenyl]-1H-imidazol-5-yl]aniline
CID 102466776
3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 3106829
4,5-dimethyl-2-(4-nitrophenyl)-1H-imidazole
CID 20685081
4-(4-nitrophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile
CID 135872784

Frequently Asked Questions

What is the IUPAC name of 8-(4-nitrophenyl)-7H-acenaphthyleno[1,2-d]imidazole?
The IUPAC name of 8-(4-nitrophenyl)-7H-acenaphthyleno[1,2-d]imidazole (CID 788015) is 8-(4-nitrophenyl)-7H-acenaphthyleno[1,2-d]imidazole.
What is the SMILES notation for 8-(4-nitrophenyl)-7H-acenaphthyleno[1,2-d]imidazole?
The canonical SMILES for 8-(4-nitrophenyl)-7H-acenaphthyleno[1,2-d]imidazole is O=[N+]([O-])c1ccc(-c2nc3c([nH]2)-c2cccc4cccc-3c24)cc1.
What is the InChIKey of 8-(4-nitrophenyl)-7H-acenaphthyleno[1,2-d]imidazole?
The InChIKey is HXMJYUDWPACKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3O2/c23-22(24)13-9-7-12(8-10-13)19-20-17-14-5-1-3-11-4-2-6-15(16(11)14)18(17)21-19/h1-10H,(H,20,21).
What are the key properties of 8-(4-nitrophenyl)-7H-acenaphthyleno[1,2-d]imidazole?
8-(4-nitrophenyl)-7H-acenaphthyleno[1,2-d]imidazole has a molecular weight of 313.32 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-nitrophenyl)-7H-acenaphthyleno[1,2-d]imidazole is sourced from PubChem (CID 788015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).