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

C18H12FN5O2 — CID 146507971

IUPAC3-cyano-2-(5-cyano-2-fluorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide
SMILESN#Cc1ccc(F)c(-c2c(C#N)ccc(O)c2C(=O)NC2=NCCN2)c1
InChIInChI=1S/C18H12FN5O2/c19-13-3-1-10(8-20)7-12(13)15-11(9-21)2-4-14(25)16(15)17(26)24-18-22-5-6-23-18/h1-4,7,25H,5-6H2,(H2,22,23,24,26)
InChIKeyJYHBLZBNDXHULA-UHFFFAOYSA-N
MW349.33 g/mol
LogP1.63
Rot. Bonds2

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

3-cyano-2-(5-cyano-2-fluorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide (PubChem CID 146507971) has the molecular formula C18H12FN5O2 and a molecular weight of 349.33 g/mol. Its IUPAC name is 3-cyano-2-(5-cyano-2-fluorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide.

Molecular Properties

Compound Name3-cyano-2-(5-cyano-2-fluorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide
PubChem CID146507971
Molecular FormulaC18H12FN5O2
Molecular Weight349.33 g/mol
Exact Mass349.10
IUPAC Name3-cyano-2-(5-cyano-2-fluorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide
SMILESN#Cc1ccc(F)c(-c2c(C#N)ccc(O)c2C(=O)NC2=NCCN2)c1
InChIInChI=1S/C18H12FN5O2/c19-13-3-1-10(8-20)7-12(13)15-11(9-21)2-4-14(25)16(15)17(26)24-18-22-5-6-23-18/h1-4,7,25H,5-6H2,(H2,22,23,24,26)
InChIKeyJYHBLZBNDXHULA-UHFFFAOYSA-N
XLogP1.63
TPSA121.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-2-(5-cyano-2-fluorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide?
The IUPAC name of 3-cyano-2-(5-cyano-2-fluorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide (CID 146507971) is 3-cyano-2-(5-cyano-2-fluorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide.
What is the SMILES notation for 3-cyano-2-(5-cyano-2-fluorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide?
The canonical SMILES for 3-cyano-2-(5-cyano-2-fluorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide is N#Cc1ccc(F)c(-c2c(C#N)ccc(O)c2C(=O)NC2=NCCN2)c1.
What is the InChIKey of 3-cyano-2-(5-cyano-2-fluorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide?
The InChIKey is JYHBLZBNDXHULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5O2/c19-13-3-1-10(8-20)7-12(13)15-11(9-21)2-4-14(25)16(15)17(26)24-18-22-5-6-23-18/h1-4,7,25H,5-6H2,(H2,22,23,24,26).
What are the key properties of 3-cyano-2-(5-cyano-2-fluorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide?
3-cyano-2-(5-cyano-2-fluorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide has a molecular weight of 349.33 g/mol, XLogP of 1.63, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2-(5-cyano-2-fluorophenyl)-N-(4,5-dihydro-1H-imidazol-2-yl)-6-hydroxybenzamide is sourced from PubChem (CID 146507971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).