[1-[(2-fluoro-4-nitrophenyl)methyl]imidazol-2-yl]methanol

C11H10FN3O3 — CID 166178500

IUPAC[1-[(2-fluoro-4-nitrophenyl)methyl]imidazol-2-yl]methanol
SMILESO=[N+]([O-])c1ccc(Cn2ccnc2CO)c(F)c1
InChIInChI=1S/C11H10FN3O3/c12-10-5-9(15(17)18)2-1-8(10)6-14-4-3-13-11(14)7-16/h1-5,16H,6-7H2
InChIKeySXPYKINISPHCAW-UHFFFAOYSA-N
MW251.22 g/mol
LogP1.47
Rot. Bonds4

About [1-[(2-fluoro-4-nitrophenyl)methyl]imidazol-2-yl]methanol

[1-[(2-fluoro-4-nitrophenyl)methyl]imidazol-2-yl]methanol (PubChem CID 166178500) has the molecular formula C11H10FN3O3 and a molecular weight of 251.22 g/mol. Its IUPAC name is [1-[(2-fluoro-4-nitrophenyl)methyl]imidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(2-fluoro-4-nitrophenyl)methyl]imidazol-2-yl]methanol
PubChem CID166178500
Molecular FormulaC11H10FN3O3
Molecular Weight251.22 g/mol
Exact Mass251.07
IUPAC Name[1-[(2-fluoro-4-nitrophenyl)methyl]imidazol-2-yl]methanol
SMILESO=[N+]([O-])c1ccc(Cn2ccnc2CO)c(F)c1
InChIInChI=1S/C11H10FN3O3/c12-10-5-9(15(17)18)2-1-8(10)6-14-4-3-13-11(14)7-16/h1-5,16H,6-7H2
InChIKeySXPYKINISPHCAW-UHFFFAOYSA-N
XLogP1.47
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 51.47
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

1-[(2-fluoro-4-nitrophenyl)methyl]triazole
CID 86816515
[5-(2-fluoro-4-nitrophenyl)-4-methyl-1,2,4-triazol-3-yl]methanol
CID 115396945
2-[[2-[(4-nitrophenyl)methyl]imidazol-1-yl]methyl]phenol
CID 82560037
[2-[(2-ethylimidazol-1-yl)methyl]-4-nitrophenyl]hydrazine
CID 62244833
N-[[1-[(2-bromo-4-nitrophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 62221107
2-fluoro-5-[[2-(hydroxymethyl)imidazol-1-yl]methyl]benzonitrile
CID 114012520
[1-[(4-chloro-2-nitrophenyl)methyl]imidazol-2-yl]methanamine
CID 55048987
2-[(2-fluoro-4-nitrophenyl)methyl]isoindole-1,3-dione
CID 70847669
[1-[(3-chloro-4-fluorophenyl)methyl]imidazol-2-yl]methanol
CID 103038769
1-[(4-bromo-2-fluorophenyl)methyl]-6-nitroindole
CID 116620983
5-acetyl-1-[(2-fluoro-4-nitrophenyl)methyl]-3-methylpyrimidine-2,4-dione
CID 71969986
[2-[(2,4-dinitrophenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 66223519

Frequently Asked Questions

What is the IUPAC name of [1-[(2-fluoro-4-nitrophenyl)methyl]imidazol-2-yl]methanol?
The IUPAC name of [1-[(2-fluoro-4-nitrophenyl)methyl]imidazol-2-yl]methanol (CID 166178500) is [1-[(2-fluoro-4-nitrophenyl)methyl]imidazol-2-yl]methanol.
What is the SMILES notation for [1-[(2-fluoro-4-nitrophenyl)methyl]imidazol-2-yl]methanol?
The canonical SMILES for [1-[(2-fluoro-4-nitrophenyl)methyl]imidazol-2-yl]methanol is O=[N+]([O-])c1ccc(Cn2ccnc2CO)c(F)c1.
What is the InChIKey of [1-[(2-fluoro-4-nitrophenyl)methyl]imidazol-2-yl]methanol?
The InChIKey is SXPYKINISPHCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O3/c12-10-5-9(15(17)18)2-1-8(10)6-14-4-3-13-11(14)7-16/h1-5,16H,6-7H2.
What are the key properties of [1-[(2-fluoro-4-nitrophenyl)methyl]imidazol-2-yl]methanol?
[1-[(2-fluoro-4-nitrophenyl)methyl]imidazol-2-yl]methanol has a molecular weight of 251.22 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-fluoro-4-nitrophenyl)methyl]imidazol-2-yl]methanol is sourced from PubChem (CID 166178500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).