4-fluoro-3-[(2-methylimidazol-1-yl)methyl]benzamide

C12H12FN3O — CID 63811780

IUPAC4-fluoro-3-[(2-methylimidazol-1-yl)methyl]benzamide
SMILESCc1nccn1Cc1cc(C(N)=O)ccc1F
InChIInChI=1S/C12H12FN3O/c1-8-15-4-5-16(8)7-10-6-9(12(14)17)2-3-11(10)13/h2-6H,7H2,1H3,(H2,14,17)
InChIKeyIPZKGTJJDJZEEC-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.48
Rot. Bonds3

About 4-fluoro-3-[(2-methylimidazol-1-yl)methyl]benzamide

4-fluoro-3-[(2-methylimidazol-1-yl)methyl]benzamide (PubChem CID 63811780) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 4-fluoro-3-[(2-methylimidazol-1-yl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[(2-methylimidazol-1-yl)methyl]benzamide
PubChem CID63811780
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name4-fluoro-3-[(2-methylimidazol-1-yl)methyl]benzamide
SMILESCc1nccn1Cc1cc(C(N)=O)ccc1F
InChIInChI=1S/C12H12FN3O/c1-8-15-4-5-16(8)7-10-6-9(12(14)17)2-3-11(10)13/h2-6H,7H2,1H3,(H2,14,17)
InChIKeyIPZKGTJJDJZEEC-UHFFFAOYSA-N
XLogP1.48
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 114485936
4-fluoro-3-[(5-methylindol-1-yl)methyl]benzamide
CID 116622998
4-fluoro-3-(hydroxymethyl)benzamide
CID 43558815
[2-fluoro-5-[(2-methylimidazol-1-yl)methyl]phenyl]methanamine
CID 107878722
2-[2-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide
CID 146841548
1-[4-ethoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]ethanone
CID 60724560
3-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-4-fluorobenzamide
CID 63810922
3-fluoro-4-[(2-oxopyrimidin-1-yl)methyl]benzamide
CID 116618428
3-[(4-chloroindol-1-yl)methyl]-4-fluorobenzamide
CID 116623731
4-[(3-chloro-2-oxopyrazin-1-yl)methyl]-3-methylbenzamide
CID 114561799
4-fluoro-3-[(4-oxothieno[3,2-d]pyrimidin-3-yl)methyl]benzamide
CID 116620744
4-[[2-(2-methylimidazol-1-yl)acetyl]amino]benzamide
CID 42942992

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(2-methylimidazol-1-yl)methyl]benzamide?
The IUPAC name of 4-fluoro-3-[(2-methylimidazol-1-yl)methyl]benzamide (CID 63811780) is 4-fluoro-3-[(2-methylimidazol-1-yl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-3-[(2-methylimidazol-1-yl)methyl]benzamide?
The canonical SMILES for 4-fluoro-3-[(2-methylimidazol-1-yl)methyl]benzamide is Cc1nccn1Cc1cc(C(N)=O)ccc1F.
What is the InChIKey of 4-fluoro-3-[(2-methylimidazol-1-yl)methyl]benzamide?
The InChIKey is IPZKGTJJDJZEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-8-15-4-5-16(8)7-10-6-9(12(14)17)2-3-11(10)13/h2-6H,7H2,1H3,(H2,14,17).
What are the key properties of 4-fluoro-3-[(2-methylimidazol-1-yl)methyl]benzamide?
4-fluoro-3-[(2-methylimidazol-1-yl)methyl]benzamide has a molecular weight of 233.25 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(2-methylimidazol-1-yl)methyl]benzamide is sourced from PubChem (CID 63811780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).