(4S)-4-(4-nitrophenyl)spiro[1,4-dihydroimidazole-5,9'-fluorene]

C21H15N3O2 — CID 122365548

IUPAC(4S)-4-(4-nitrophenyl)spiro[1,4-dihydroimidazole-5,9'-fluorene]
SMILESO=[N+]([O-])c1ccc([C@@H]2N=CNC23c2ccccc2-c2ccccc23)cc1
InChIInChI=1S/C21H15N3O2/c25-24(26)15-11-9-14(10-12-15)20-21(23-13-22-20)18-7-3-1-5-16(18)17-6-2-4-8-19(17)21/h1-13,20H,(H,22,23)/t20-/m0/s1
InChIKeyKDZIZGLKBGVMCU-FQEVSTJZSA-N
MW341.37 g/mol
LogP4.19
Rot. Bonds2

About (4S)-4-(4-nitrophenyl)spiro[1,4-dihydroimidazole-5,9'-fluorene]

(4S)-4-(4-nitrophenyl)spiro[1,4-dihydroimidazole-5,9'-fluorene] (PubChem CID 122365548) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is (4S)-4-(4-nitrophenyl)spiro[1,4-dihydroimidazole-5,9'-fluorene].

Molecular Properties

Compound Name(4S)-4-(4-nitrophenyl)spiro[1,4-dihydroimidazole-5,9'-fluorene]
PubChem CID122365548
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC Name(4S)-4-(4-nitrophenyl)spiro[1,4-dihydroimidazole-5,9'-fluorene]
SMILESO=[N+]([O-])c1ccc([C@@H]2N=CNC23c2ccccc2-c2ccccc23)cc1
InChIInChI=1S/C21H15N3O2/c25-24(26)15-11-9-14(10-12-15)20-21(23-13-22-20)18-7-3-1-5-16(18)17-6-2-4-8-19(17)21/h1-13,20H,(H,22,23)/t20-/m0/s1
InChIKeyKDZIZGLKBGVMCU-FQEVSTJZSA-N
XLogP4.19
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-(4-nitrophenyl)spiro[2,5-dihydrothiopyran-6,9'-fluorene]
CID 100928471
CID 101429522
CID 101429522
4-(4-nitrophenyl)-1,4-dihydroimidazol-5-one
CID 67815214
4-(4-nitrophenyl)piperidine-2,6-dione
CID 53426303
1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene
CID 15891688
(4R,5S)-4-(4-nitrobenzoyl)-5-[(2S,3S)-3-(4-nitrobenzoyl)-4,5-dioxooxolan-2-yl]oxolane-2,3-dione
CID 98546550
5-(4-nitrophenyl)-5H-tetrazole
CID 174394321
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061
10-(4-nitrophenyl)spiro[acridine-9,9'-fluorene]
CID 143268859
2-(4-nitrophenyl)-4-phenyl-1,2-dihydroquinazoline
CID 132933614
3-(4-nitrophenyl)-1,3-dihydroindol-2-one
CID 112758281
4-(4-nitrophenyl)pyrrolidine-2,3,5-trione
CID 117060490

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-nitrophenyl)spiro[1,4-dihydroimidazole-5,9'-fluorene]?
The IUPAC name of (4S)-4-(4-nitrophenyl)spiro[1,4-dihydroimidazole-5,9'-fluorene] (CID 122365548) is (4S)-4-(4-nitrophenyl)spiro[1,4-dihydroimidazole-5,9'-fluorene].
What is the SMILES notation for (4S)-4-(4-nitrophenyl)spiro[1,4-dihydroimidazole-5,9'-fluorene]?
The canonical SMILES for (4S)-4-(4-nitrophenyl)spiro[1,4-dihydroimidazole-5,9'-fluorene] is O=[N+]([O-])c1ccc([C@@H]2N=CNC23c2ccccc2-c2ccccc23)cc1.
What is the InChIKey of (4S)-4-(4-nitrophenyl)spiro[1,4-dihydroimidazole-5,9'-fluorene]?
The InChIKey is KDZIZGLKBGVMCU-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H15N3O2/c25-24(26)15-11-9-14(10-12-15)20-21(23-13-22-20)18-7-3-1-5-16(18)17-6-2-4-8-19(17)21/h1-13,20H,(H,22,23)/t20-/m0/s1.
What are the key properties of (4S)-4-(4-nitrophenyl)spiro[1,4-dihydroimidazole-5,9'-fluorene]?
(4S)-4-(4-nitrophenyl)spiro[1,4-dihydroimidazole-5,9'-fluorene] has a molecular weight of 341.37 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-nitrophenyl)spiro[1,4-dihydroimidazole-5,9'-fluorene] is sourced from PubChem (CID 122365548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).