3-fluoro-4-methoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide

C17H16FN5O2 — CID 122243744

IUPAC3-fluoro-4-methoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCn2ccnc2-c2cnccn2)cc1F
InChIInChI=1S/C17H16FN5O2/c1-25-15-3-2-12(10-13(15)18)17(24)22-7-9-23-8-6-21-16(23)14-11-19-4-5-20-14/h2-6,8,10-11H,7,9H2,1H3,(H,22,24)
InChIKeyKCLOAQJTQCEAKE-UHFFFAOYSA-N
MW341.35 g/mol
LogP1.92
Rot. Bonds6

About 3-fluoro-4-methoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide

3-fluoro-4-methoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide (PubChem CID 122243744) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide
PubChem CID122243744
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name3-fluoro-4-methoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCn2ccnc2-c2cnccn2)cc1F
InChIInChI=1S/C17H16FN5O2/c1-25-15-3-2-12(10-13(15)18)17(24)22-7-9-23-8-6-21-16(23)14-11-19-4-5-20-14/h2-6,8,10-11H,7,9H2,1H3,(H,22,24)
InChIKeyKCLOAQJTQCEAKE-UHFFFAOYSA-N
XLogP1.92
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-difluorophenyl)-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide
CID 122243741
3,4-difluoro-N-[2-(2-pyridin-3-ylimidazol-1-yl)ethyl]benzamide
CID 86266190
2-ethoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]acetamide
CID 122243681
5-bromo-2-chloro-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide
CID 122243688
3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393720
N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3-fluoro-4-methoxybenzamide
CID 91892842
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
N-[2-(2-pyridin-2-ylimidazol-1-yl)ethyl]benzamide
CID 86266110
N-(4-bromobutyl)-3-fluoro-4-methoxybenzamide
CID 106845988
N-[2-[2-(2-ethoxyphenyl)imidazol-1-yl]ethyl]pyridine-3-carboxamide
CID 56915953
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
3-fluoro-4-methoxy-N-[3-(4-methoxyphenoxy)propyl]benzamide
CID 86836580

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide (CID 122243744) is 3-fluoro-4-methoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide is COc1ccc(C(=O)NCCn2ccnc2-c2cnccn2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide?
The InChIKey is KCLOAQJTQCEAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-25-15-3-2-12(10-13(15)18)17(24)22-7-9-23-8-6-21-16(23)14-11-19-4-5-20-14/h2-6,8,10-11H,7,9H2,1H3,(H,22,24).
What are the key properties of 3-fluoro-4-methoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide?
3-fluoro-4-methoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide has a molecular weight of 341.35 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[2-(2-pyrazin-2-ylimidazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 122243744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).