(1R)-1-(2,5-difluorophenyl)-2-[2-(3-nitrophenyl)imidazol-1-yl]ethanol

C17H13F2N3O3 — CID 94333678

IUPAC(1R)-1-(2,5-difluorophenyl)-2-[2-(3-nitrophenyl)imidazol-1-yl]ethanol
SMILESO=[N+]([O-])c1cccc(-c2nccn2C[C@H](O)c2cc(F)ccc2F)c1
InChIInChI=1S/C17H13F2N3O3/c18-12-4-5-15(19)14(9-12)16(23)10-21-7-6-20-17(21)11-2-1-3-13(8-11)22(24)25/h1-9,16,23H,10H2/t16-/m0/s1
InChIKeyBVKIRNFNFXJWEV-INIZCTEOSA-N
MW345.31 g/mol
LogP3.47
Rot. Bonds5

About (1R)-1-(2,5-difluorophenyl)-2-[2-(3-nitrophenyl)imidazol-1-yl]ethanol

(1R)-1-(2,5-difluorophenyl)-2-[2-(3-nitrophenyl)imidazol-1-yl]ethanol (PubChem CID 94333678) has the molecular formula C17H13F2N3O3 and a molecular weight of 345.31 g/mol. Its IUPAC name is (1R)-1-(2,5-difluorophenyl)-2-[2-(3-nitrophenyl)imidazol-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(2,5-difluorophenyl)-2-[2-(3-nitrophenyl)imidazol-1-yl]ethanol
PubChem CID94333678
Molecular FormulaC17H13F2N3O3
Molecular Weight345.31 g/mol
Exact Mass345.09
IUPAC Name(1R)-1-(2,5-difluorophenyl)-2-[2-(3-nitrophenyl)imidazol-1-yl]ethanol
SMILESO=[N+]([O-])c1cccc(-c2nccn2C[C@H](O)c2cc(F)ccc2F)c1
InChIInChI=1S/C17H13F2N3O3/c18-12-4-5-15(19)14(9-12)16(23)10-21-7-6-20-17(21)11-2-1-3-13(8-11)22(24)25/h1-9,16,23H,10H2/t16-/m0/s1
InChIKeyBVKIRNFNFXJWEV-INIZCTEOSA-N
XLogP3.47
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.47
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

3-[2-(3-nitrophenyl)imidazol-1-yl]propan-1-amine
CID 82559262
(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[2-(3-nitrophenyl)imidazol-1-yl]propan-2-ol
CID 98727860
1-(2,5-difluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol
CID 109411247
2-(2-methylimidazol-1-yl)-1-(3-nitrophenyl)ethanol
CID 75432602
1-(2,6-difluorophenyl)-2-(2-phenylimidazol-1-yl)ethanol
CID 111440105
1-(2,6-difluorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol
CID 109411390
1-(2,5-difluorophenyl)-2-(2-methoxy-4-nitrophenoxy)ethanol
CID 109415751
2-fluoro-1-methyl-4-(3-nitrophenyl)benzene
CID 70699657
1-(4-fluoro-2-methylphenyl)-2-(3-nitrophenoxy)ethanol
CID 109413082
4-fluoro-2-methyl-1-(3-nitrophenyl)benzene
CID 57155248
1-(2,5-difluorophenyl)-N-methyl-N-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 55828507
(1R)-1-(2,4-difluorophenyl)-2-[2-[(R)-hydroxy(phenyl)methyl]imidazol-1-yl]ethanol
CID 99822149

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,5-difluorophenyl)-2-[2-(3-nitrophenyl)imidazol-1-yl]ethanol?
The IUPAC name of (1R)-1-(2,5-difluorophenyl)-2-[2-(3-nitrophenyl)imidazol-1-yl]ethanol (CID 94333678) is (1R)-1-(2,5-difluorophenyl)-2-[2-(3-nitrophenyl)imidazol-1-yl]ethanol.
What is the SMILES notation for (1R)-1-(2,5-difluorophenyl)-2-[2-(3-nitrophenyl)imidazol-1-yl]ethanol?
The canonical SMILES for (1R)-1-(2,5-difluorophenyl)-2-[2-(3-nitrophenyl)imidazol-1-yl]ethanol is O=[N+]([O-])c1cccc(-c2nccn2C[C@H](O)c2cc(F)ccc2F)c1.
What is the InChIKey of (1R)-1-(2,5-difluorophenyl)-2-[2-(3-nitrophenyl)imidazol-1-yl]ethanol?
The InChIKey is BVKIRNFNFXJWEV-INIZCTEOSA-N. The full InChI is InChI=1S/C17H13F2N3O3/c18-12-4-5-15(19)14(9-12)16(23)10-21-7-6-20-17(21)11-2-1-3-13(8-11)22(24)25/h1-9,16,23H,10H2/t16-/m0/s1.
What are the key properties of (1R)-1-(2,5-difluorophenyl)-2-[2-(3-nitrophenyl)imidazol-1-yl]ethanol?
(1R)-1-(2,5-difluorophenyl)-2-[2-(3-nitrophenyl)imidazol-1-yl]ethanol has a molecular weight of 345.31 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,5-difluorophenyl)-2-[2-(3-nitrophenyl)imidazol-1-yl]ethanol is sourced from PubChem (CID 94333678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).