3-cyano-2-(2-fluoro-3-methoxyphenyl)-6-hydroxy-N-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)benzamide

C22H23FN4O3 — CID 146507984

IUPAC3-cyano-2-(2-fluoro-3-methoxyphenyl)-6-hydroxy-N-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)benzamide
SMILESCOc1cccc(-c2c(C#N)ccc(O)c2C(=O)NC2=NC(C)(C)C(C)(C)N2)c1F
InChIInChI=1S/C22H23FN4O3/c1-21(2)22(3,4)27-20(26-21)25-19(29)17-14(28)10-9-12(11-24)16(17)13-7-6-8-15(30-5)18(13)23/h6-10,28H,1-5H3,(H2,25,26,27,29)
InChIKeyLKUSZNHYGISZAP-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.32
Rot. Bonds3

About 3-cyano-2-(2-fluoro-3-methoxyphenyl)-6-hydroxy-N-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)benzamide

3-cyano-2-(2-fluoro-3-methoxyphenyl)-6-hydroxy-N-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)benzamide (PubChem CID 146507984) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is 3-cyano-2-(2-fluoro-3-methoxyphenyl)-6-hydroxy-N-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)benzamide.

Molecular Properties

Compound Name3-cyano-2-(2-fluoro-3-methoxyphenyl)-6-hydroxy-N-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)benzamide
PubChem CID146507984
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name3-cyano-2-(2-fluoro-3-methoxyphenyl)-6-hydroxy-N-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)benzamide
SMILESCOc1cccc(-c2c(C#N)ccc(O)c2C(=O)NC2=NC(C)(C)C(C)(C)N2)c1F
InChIInChI=1S/C22H23FN4O3/c1-21(2)22(3,4)27-20(26-21)25-19(29)17-14(28)10-9-12(11-24)16(17)13-7-6-8-15(30-5)18(13)23/h6-10,28H,1-5H3,(H2,25,26,27,29)
InChIKeyLKUSZNHYGISZAP-UHFFFAOYSA-N
XLogP3.32
TPSA106.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-2-(2-fluoro-3-methoxyphenyl)-6-hydroxy-N-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)benzamide?
The IUPAC name of 3-cyano-2-(2-fluoro-3-methoxyphenyl)-6-hydroxy-N-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)benzamide (CID 146507984) is 3-cyano-2-(2-fluoro-3-methoxyphenyl)-6-hydroxy-N-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)benzamide.
What is the SMILES notation for 3-cyano-2-(2-fluoro-3-methoxyphenyl)-6-hydroxy-N-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)benzamide?
The canonical SMILES for 3-cyano-2-(2-fluoro-3-methoxyphenyl)-6-hydroxy-N-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)benzamide is COc1cccc(-c2c(C#N)ccc(O)c2C(=O)NC2=NC(C)(C)C(C)(C)N2)c1F.
What is the InChIKey of 3-cyano-2-(2-fluoro-3-methoxyphenyl)-6-hydroxy-N-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)benzamide?
The InChIKey is LKUSZNHYGISZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-21(2)22(3,4)27-20(26-21)25-19(29)17-14(28)10-9-12(11-24)16(17)13-7-6-8-15(30-5)18(13)23/h6-10,28H,1-5H3,(H2,25,26,27,29).
What are the key properties of 3-cyano-2-(2-fluoro-3-methoxyphenyl)-6-hydroxy-N-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)benzamide?
3-cyano-2-(2-fluoro-3-methoxyphenyl)-6-hydroxy-N-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)benzamide has a molecular weight of 410.45 g/mol, XLogP of 3.32, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2-(2-fluoro-3-methoxyphenyl)-6-hydroxy-N-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)benzamide is sourced from PubChem (CID 146507984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).