3,4-difluoro-N-[2-(2-pyridin-3-ylimidazol-1-yl)ethyl]benzamide

C17H14F2N4O — CID 86266190

IUPAC3,4-difluoro-N-[2-(2-pyridin-3-ylimidazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ccnc1-c1cccnc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H14F2N4O/c18-14-4-3-12(10-15(14)19)17(24)22-7-9-23-8-6-21-16(23)13-2-1-5-20-11-13/h1-6,8,10-11H,7,9H2,(H,22,24)
InChIKeyZCTGSWFSRKUMHQ-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.65
Rot. Bonds5

About 3,4-difluoro-N-[2-(2-pyridin-3-ylimidazol-1-yl)ethyl]benzamide

3,4-difluoro-N-[2-(2-pyridin-3-ylimidazol-1-yl)ethyl]benzamide (PubChem CID 86266190) has the molecular formula C17H14F2N4O and a molecular weight of 328.32 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-(2-pyridin-3-ylimidazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-(2-pyridin-3-ylimidazol-1-yl)ethyl]benzamide
PubChem CID86266190
Molecular FormulaC17H14F2N4O
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name3,4-difluoro-N-[2-(2-pyridin-3-ylimidazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ccnc1-c1cccnc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H14F2N4O/c18-14-4-3-12(10-15(14)19)17(24)22-7-9-23-8-6-21-16(23)13-2-1-5-20-11-13/h1-6,8,10-11H,7,9H2,(H,22,24)
InChIKeyZCTGSWFSRKUMHQ-UHFFFAOYSA-N
XLogP2.65
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-methoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide
CID 122243744
N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzamide
CID 90588830
3-fluoro-4-methyl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]benzamide
CID 122246680
N-[2-[2-(2-ethoxyphenyl)imidazol-1-yl]ethyl]pyridine-3-carboxamide
CID 56915953
N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]benzamide
CID 86266110
1-(2,6-difluorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol
CID 109411390
N-[2-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 110788258
3,4-difluoro-N-[2-(4-phenyltriazol-1-yl)ethyl]benzamide
CID 146152118
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyridine-3-carboxamide
CID 121119194
3,4-difluoro-N-(3-pyridin-3-yl-1,2-oxazol-5-yl)benzamide
CID 53143042
N,N-dimethyl-2-(2-pyridin-3-ylimidazol-1-yl)acetamide
CID 155915500
2-(2,4-difluorophenyl)-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide
CID 122243741

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-(2-pyridin-3-ylimidazol-1-yl)ethyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[2-(2-pyridin-3-ylimidazol-1-yl)ethyl]benzamide (CID 86266190) is 3,4-difluoro-N-[2-(2-pyridin-3-ylimidazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[2-(2-pyridin-3-ylimidazol-1-yl)ethyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[2-(2-pyridin-3-ylimidazol-1-yl)ethyl]benzamide is O=C(NCCn1ccnc1-c1cccnc1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[2-(2-pyridin-3-ylimidazol-1-yl)ethyl]benzamide?
The InChIKey is ZCTGSWFSRKUMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O/c18-14-4-3-12(10-15(14)19)17(24)22-7-9-23-8-6-21-16(23)13-2-1-5-20-11-13/h1-6,8,10-11H,7,9H2,(H,22,24).
What are the key properties of 3,4-difluoro-N-[2-(2-pyridin-3-ylimidazol-1-yl)ethyl]benzamide?
3,4-difluoro-N-[2-(2-pyridin-3-ylimidazol-1-yl)ethyl]benzamide has a molecular weight of 328.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-(2-pyridin-3-ylimidazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 86266190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).