3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-3-methoxyphenyl)-6-hydroxybenzamide

C18H15FN4O3 — CID 146507963

IUPAC3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-3-methoxyphenyl)-6-hydroxybenzamide
SMILESCOc1cccc(-c2c(C#N)ccc(O)c2C(=O)NC2=NCCN2)c1F
InChIInChI=1S/C18H15FN4O3/c1-26-13-4-2-3-11(16(13)19)14-10(9-20)5-6-12(24)15(14)17(25)23-18-21-7-8-22-18/h2-6,24H,7-8H2,1H3,(H2,21,22,23,25)
InChIKeyAOYFWXKDXKPWTM-UHFFFAOYSA-N
MW354.34 g/mol
LogP1.77
Rot. Bonds3

About 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-3-methoxyphenyl)-6-hydroxybenzamide

3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-3-methoxyphenyl)-6-hydroxybenzamide (PubChem CID 146507963) has the molecular formula C18H15FN4O3 and a molecular weight of 354.34 g/mol. Its IUPAC name is 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-3-methoxyphenyl)-6-hydroxybenzamide.

Molecular Properties

Compound Name3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-3-methoxyphenyl)-6-hydroxybenzamide
PubChem CID146507963
Molecular FormulaC18H15FN4O3
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-3-methoxyphenyl)-6-hydroxybenzamide
SMILESCOc1cccc(-c2c(C#N)ccc(O)c2C(=O)NC2=NCCN2)c1F
InChIInChI=1S/C18H15FN4O3/c1-26-13-4-2-3-11(16(13)19)14-10(9-20)5-6-12(24)15(14)17(25)23-18-21-7-8-22-18/h2-6,24H,7-8H2,1H3,(H2,21,22,23,25)
InChIKeyAOYFWXKDXKPWTM-UHFFFAOYSA-N
XLogP1.77
TPSA106.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluorophenyl)-6-hydroxybenzamide
CID 146507958
3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-3-methylphenyl)-6-hydroxybenzamide
CID 146507960
3-cyano-5-[4-[6-cyano-2-(2,4-diazabicyclo[3.1.0]hex-2-en-3-ylcarbamoyl)-3-hydroxyphenyl]-2-fluoro-5-methoxyphenyl]-N-(4,4-dimethyl-1,5-dihydroimidazol-2-yl)-2-(5-fluoro-2-methoxyphenyl)-6-hydroxybenzamide
CID 146507962
3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(3-fluoro-5-methylphenyl)-6-hydroxybenzamide
CID 146507965
3-cyano-2-(2-cyano-5-fluorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide
CID 146507966
N-(N-acetylcarbamimidoyl)-3-cyano-2-(5-fluoro-2-methoxyphenyl)-6-hydroxybenzamide
CID 146507970
3-cyano-2-(5-cyano-2-fluorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide
CID 146507971
3-cyano-2-(3-cyano-2-fluorophenyl)-6-hydroxy-N-(N'-methylcarbamimidoyl)benzamide
CID 146507974
3-cyano-2-(2-fluoro-3-methoxyphenyl)-6-hydroxy-N-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)benzamide
CID 146507984
3-cyano-N-(diaminomethylidene)-2-(3-fluoro-5-methoxyphenyl)-6-hydroxybenzamide
CID 146508000
2-(2-chloro-3-fluorophenyl)-3-cyano-6-hydroxy-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
CID 146508019
3-cyano-N-[N'-(2-fluoroethyl)carbamimidoyl]-6-hydroxy-2-phenylbenzamide
CID 146508021

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-3-methoxyphenyl)-6-hydroxybenzamide?
The IUPAC name of 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-3-methoxyphenyl)-6-hydroxybenzamide (CID 146507963) is 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-3-methoxyphenyl)-6-hydroxybenzamide.
What is the SMILES notation for 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-3-methoxyphenyl)-6-hydroxybenzamide?
The canonical SMILES for 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-3-methoxyphenyl)-6-hydroxybenzamide is COc1cccc(-c2c(C#N)ccc(O)c2C(=O)NC2=NCCN2)c1F.
What is the InChIKey of 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-3-methoxyphenyl)-6-hydroxybenzamide?
The InChIKey is AOYFWXKDXKPWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3/c1-26-13-4-2-3-11(16(13)19)14-10(9-20)5-6-12(24)15(14)17(25)23-18-21-7-8-22-18/h2-6,24H,7-8H2,1H3,(H2,21,22,23,25).
What are the key properties of 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-3-methoxyphenyl)-6-hydroxybenzamide?
3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-3-methoxyphenyl)-6-hydroxybenzamide has a molecular weight of 354.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-3-methoxyphenyl)-6-hydroxybenzamide is sourced from PubChem (CID 146507963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).