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

C18H15FN4O2 — CID 146507960

IUPAC3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-3-methylphenyl)-6-hydroxybenzamide
SMILESCc1cccc(-c2c(C#N)ccc(O)c2C(=O)NC2=NCCN2)c1F
InChIInChI=1S/C18H15FN4O2/c1-10-3-2-4-12(16(10)19)14-11(9-20)5-6-13(24)15(14)17(25)23-18-21-7-8-22-18/h2-6,24H,7-8H2,1H3,(H2,21,22,23,25)
InChIKeyRFXRRYJTKSEYQY-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.07
Rot. Bonds2

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

3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-3-methylphenyl)-6-hydroxybenzamide (PubChem CID 146507960) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-3-methylphenyl)-6-hydroxybenzamide.

Molecular Properties

Compound Name3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-3-methylphenyl)-6-hydroxybenzamide
PubChem CID146507960
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-3-methylphenyl)-6-hydroxybenzamide
SMILESCc1cccc(-c2c(C#N)ccc(O)c2C(=O)NC2=NCCN2)c1F
InChIInChI=1S/C18H15FN4O2/c1-10-3-2-4-12(16(10)19)14-11(9-20)5-6-13(24)15(14)17(25)23-18-21-7-8-22-18/h2-6,24H,7-8H2,1H3,(H2,21,22,23,25)
InChIKeyRFXRRYJTKSEYQY-UHFFFAOYSA-N
XLogP2.07
TPSA97.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-3-methylphenyl)-6-hydroxybenzamide?
The IUPAC name of 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-3-methylphenyl)-6-hydroxybenzamide (CID 146507960) is 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-3-methylphenyl)-6-hydroxybenzamide.
What is the SMILES notation for 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-3-methylphenyl)-6-hydroxybenzamide?
The canonical SMILES for 3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-3-methylphenyl)-6-hydroxybenzamide is Cc1cccc(-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-methylphenyl)-6-hydroxybenzamide?
The InChIKey is RFXRRYJTKSEYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-10-3-2-4-12(16(10)19)14-11(9-20)5-6-13(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-methylphenyl)-6-hydroxybenzamide?
3-cyano-N-(4,5-dihydro-1H-imidazol-2-yl)-2-(2-fluoro-3-methylphenyl)-6-hydroxybenzamide has a molecular weight of 338.34 g/mol, XLogP of 2.07, 2 rotatable bonds, 3 hydrogen bond donors, and 5 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-methylphenyl)-6-hydroxybenzamide is sourced from PubChem (CID 146507960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).