(S)-(4-nitrophenyl)-[5-(4-nitrophenyl)-1H-imidazol-2-yl]methanol

C16H12N4O5 — CID 95864954

IUPAC(S)-(4-nitrophenyl)-[5-(4-nitrophenyl)-1H-imidazol-2-yl]methanol
SMILESO=[N+]([O-])c1ccc(-c2cnc([C@@H](O)c3ccc([N+](=O)[O-])cc3)[nH]2)cc1
InChIInChI=1S/C16H12N4O5/c21-15(11-3-7-13(8-4-11)20(24)25)16-17-9-14(18-16)10-1-5-12(6-2-10)19(22)23/h1-9,15,21H,(H,17,18)/t15-/m0/s1
InChIKeyCNEMVZGQFDIFGX-HNNXBMFYSA-N
MW340.30 g/mol
LogP2.97
Rot. Bonds5

About (S)-(4-nitrophenyl)-[5-(4-nitrophenyl)-1H-imidazol-2-yl]methanol

(S)-(4-nitrophenyl)-[5-(4-nitrophenyl)-1H-imidazol-2-yl]methanol (PubChem CID 95864954) has the molecular formula C16H12N4O5 and a molecular weight of 340.30 g/mol. Its IUPAC name is (S)-(4-nitrophenyl)-[5-(4-nitrophenyl)-1H-imidazol-2-yl]methanol.

Molecular Properties

Compound Name(S)-(4-nitrophenyl)-[5-(4-nitrophenyl)-1H-imidazol-2-yl]methanol
PubChem CID95864954
Molecular FormulaC16H12N4O5
Molecular Weight340.30 g/mol
Exact Mass340.08
IUPAC Name(S)-(4-nitrophenyl)-[5-(4-nitrophenyl)-1H-imidazol-2-yl]methanol
SMILESO=[N+]([O-])c1ccc(-c2cnc([C@@H](O)c3ccc([N+](=O)[O-])cc3)[nH]2)cc1
InChIInChI=1S/C16H12N4O5/c21-15(11-3-7-13(8-4-11)20(24)25)16-17-9-14(18-16)10-1-5-12(6-2-10)19(22)23/h1-9,15,21H,(H,17,18)/t15-/m0/s1
InChIKeyCNEMVZGQFDIFGX-HNNXBMFYSA-N
XLogP2.97
TPSA135.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

(R)-(4-nitrophenyl)-[5-(4-nitrophenyl)-1H-imidazol-2-yl]methanol
CID 95864953
bis(4-nitrophenyl)methanol
CID 12768612
N-methyl-5-(4-nitrophenyl)-1H-imidazol-2-amine
CID 53303103
(S)-(4-nitrophenyl)-phenylmethanol
CID 15555304
N-[2-[5-(4-nitrophenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60853279
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[5-(4-nitrophenyl)-1H-imidazol-2-yl]carbamate
CID 175863126
1-(4-nitrophenyl)-4-[1,2,2-tris[4-(4-nitrophenyl)phenyl]ethyl]benzene
CID 164575801
2-methyl-3-methylsulfanyl-N-[5-(4-nitrophenyl)-1H-imidazol-2-yl]propanamide
CID 126829393
(4-fluorophenyl)-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]methanol
CID 46943500
2-[(2-methylnaphthalen-1-yl)methylsulfanyl]-5-(4-nitrophenyl)-1H-imidazole
CID 1339871
4-nitro-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]benzenesulfonamide
CID 87332193
5-tert-butyl-2-(4-nitrophenyl)-1H-imidazole
CID 90705993

Frequently Asked Questions

What is the IUPAC name of (S)-(4-nitrophenyl)-[5-(4-nitrophenyl)-1H-imidazol-2-yl]methanol?
The IUPAC name of (S)-(4-nitrophenyl)-[5-(4-nitrophenyl)-1H-imidazol-2-yl]methanol (CID 95864954) is (S)-(4-nitrophenyl)-[5-(4-nitrophenyl)-1H-imidazol-2-yl]methanol.
What is the SMILES notation for (S)-(4-nitrophenyl)-[5-(4-nitrophenyl)-1H-imidazol-2-yl]methanol?
The canonical SMILES for (S)-(4-nitrophenyl)-[5-(4-nitrophenyl)-1H-imidazol-2-yl]methanol is O=[N+]([O-])c1ccc(-c2cnc([C@@H](O)c3ccc([N+](=O)[O-])cc3)[nH]2)cc1.
What is the InChIKey of (S)-(4-nitrophenyl)-[5-(4-nitrophenyl)-1H-imidazol-2-yl]methanol?
The InChIKey is CNEMVZGQFDIFGX-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H12N4O5/c21-15(11-3-7-13(8-4-11)20(24)25)16-17-9-14(18-16)10-1-5-12(6-2-10)19(22)23/h1-9,15,21H,(H,17,18)/t15-/m0/s1.
What are the key properties of (S)-(4-nitrophenyl)-[5-(4-nitrophenyl)-1H-imidazol-2-yl]methanol?
(S)-(4-nitrophenyl)-[5-(4-nitrophenyl)-1H-imidazol-2-yl]methanol has a molecular weight of 340.30 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(4-nitrophenyl)-[5-(4-nitrophenyl)-1H-imidazol-2-yl]methanol is sourced from PubChem (CID 95864954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).