2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide

C12H11F2N3O — CID 55168082

IUPAC2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCn1ccnc1CNC(=O)c1cccc(F)c1F
InChIInChI=1S/C12H11F2N3O/c1-17-6-5-15-10(17)7-16-12(18)8-3-2-4-9(13)11(8)14/h2-6H,7H2,1H3,(H,16,18)
InChIKeyPBRLQWZXBAABLG-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.63
Rot. Bonds3

About 2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide

2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide (PubChem CID 55168082) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is 2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
PubChem CID55168082
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCn1ccnc1CNC(=O)c1cccc(F)c1F
InChIInChI=1S/C12H11F2N3O/c1-17-6-5-15-10(17)7-16-12(18)8-3-2-4-9(13)11(8)14/h2-6H,7H2,1H3,(H,16,18)
InChIKeyPBRLQWZXBAABLG-UHFFFAOYSA-N
XLogP1.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylimidazol-2-yl)methyl]naphthalene-1-carboxamide
CID 110440177
2-hydroxy-3-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63237643
5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63235961
2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61215487
2,3-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 62662294
2-amino-3-bromo-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 110451079
4-fluoro-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 113304577
2-(dimethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 110475162
N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)benzamide
CID 63293605
2-(ethylamino)-3-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 62661928
2-(2-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476005
1-(2-amino-3-fluorophenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 116597700

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The IUPAC name of 2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide (CID 55168082) is 2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide is Cn1ccnc1CNC(=O)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The InChIKey is PBRLQWZXBAABLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c1-17-6-5-15-10(17)7-16-12(18)8-3-2-4-9(13)11(8)14/h2-6H,7H2,1H3,(H,16,18).
What are the key properties of 2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide?
2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide has a molecular weight of 251.24 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 55168082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).