4-fluoro-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]benzamide

C12H12FN3O2 — CID 113304577

IUPAC4-fluoro-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCn1ccnc1CNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C12H12FN3O2/c1-16-5-4-14-11(16)7-15-12(18)9-3-2-8(13)6-10(9)17/h2-6,17H,7H2,1H3,(H,15,18)
InChIKeyOQDJNBYVFXZBKB-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.19
Rot. Bonds3

About 4-fluoro-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]benzamide

4-fluoro-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]benzamide (PubChem CID 113304577) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]benzamide
PubChem CID113304577
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name4-fluoro-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCn1ccnc1CNC(=O)c1ccc(F)cc1O
InChIInChI=1S/C12H12FN3O2/c1-16-5-4-14-11(16)7-15-12(18)9-3-2-8(13)6-10(9)17/h2-6,17H,7H2,1H3,(H,15,18)
InChIKeyOQDJNBYVFXZBKB-UHFFFAOYSA-N
XLogP1.19
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63235961
2-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 110488866
2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 55168082
2,4-diamino-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63296114
5-fluoro-3-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 92600014
2-hydroxy-3-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63237643
2-amino-4-bromo-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 79721607
2,5-difluoro-N-[(1-methylimidazol-2-yl)methyl]-3-nitrobenzamide
CID 107122060
4-fluoro-2-hydroxy-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]benzamide
CID 90649871
N-[(1-methylimidazol-2-yl)methyl]naphthalene-1-carboxamide
CID 110440177
4-amino-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63295986
4-amino-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 81242142

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The IUPAC name of 4-fluoro-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]benzamide (CID 113304577) is 4-fluoro-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-fluoro-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]benzamide is Cn1ccnc1CNC(=O)c1ccc(F)cc1O.
What is the InChIKey of 4-fluoro-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The InChIKey is OQDJNBYVFXZBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-16-5-4-14-11(16)7-15-12(18)9-3-2-8(13)6-10(9)17/h2-6,17H,7H2,1H3,(H,15,18).
What are the key properties of 4-fluoro-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]benzamide?
4-fluoro-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]benzamide has a molecular weight of 249.25 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 113304577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).