(2R)-2-(1-benzylimidazol-2-yl)-2-cyano-N-(2-fluorophenyl)acetamide

C19H15FN4O — CID 97082617

IUPAC(2R)-2-(1-benzylimidazol-2-yl)-2-cyano-N-(2-fluorophenyl)acetamide
SMILESN#C[C@@H](C(=O)Nc1ccccc1F)c1nccn1Cc1ccccc1
InChIInChI=1S/C19H15FN4O/c20-16-8-4-5-9-17(16)23-19(25)15(12-21)18-22-10-11-24(18)13-14-6-2-1-3-7-14/h1-11,15H,13H2,(H,23,25)/t15-/m1/s1
InChIKeyUCNGPPMINWRBSY-OAHLLOKOSA-N
MW334.35 g/mol
LogP3.32
Rot. Bonds5

About (2R)-2-(1-benzylimidazol-2-yl)-2-cyano-N-(2-fluorophenyl)acetamide

(2R)-2-(1-benzylimidazol-2-yl)-2-cyano-N-(2-fluorophenyl)acetamide (PubChem CID 97082617) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is (2R)-2-(1-benzylimidazol-2-yl)-2-cyano-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name(2R)-2-(1-benzylimidazol-2-yl)-2-cyano-N-(2-fluorophenyl)acetamide
PubChem CID97082617
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC Name(2R)-2-(1-benzylimidazol-2-yl)-2-cyano-N-(2-fluorophenyl)acetamide
SMILESN#C[C@@H](C(=O)Nc1ccccc1F)c1nccn1Cc1ccccc1
InChIInChI=1S/C19H15FN4O/c20-16-8-4-5-9-17(16)23-19(25)15(12-21)18-22-10-11-24(18)13-14-6-2-1-3-7-14/h1-11,15H,13H2,(H,23,25)/t15-/m1/s1
InChIKeyUCNGPPMINWRBSY-OAHLLOKOSA-N
XLogP3.32
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-benzylimidazol-2-yl)-2-cyano-N-(2-fluorophenyl)acetamide?
The IUPAC name of (2R)-2-(1-benzylimidazol-2-yl)-2-cyano-N-(2-fluorophenyl)acetamide (CID 97082617) is (2R)-2-(1-benzylimidazol-2-yl)-2-cyano-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for (2R)-2-(1-benzylimidazol-2-yl)-2-cyano-N-(2-fluorophenyl)acetamide?
The canonical SMILES for (2R)-2-(1-benzylimidazol-2-yl)-2-cyano-N-(2-fluorophenyl)acetamide is N#C[C@@H](C(=O)Nc1ccccc1F)c1nccn1Cc1ccccc1.
What is the InChIKey of (2R)-2-(1-benzylimidazol-2-yl)-2-cyano-N-(2-fluorophenyl)acetamide?
The InChIKey is UCNGPPMINWRBSY-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H15FN4O/c20-16-8-4-5-9-17(16)23-19(25)15(12-21)18-22-10-11-24(18)13-14-6-2-1-3-7-14/h1-11,15H,13H2,(H,23,25)/t15-/m1/s1.
What are the key properties of (2R)-2-(1-benzylimidazol-2-yl)-2-cyano-N-(2-fluorophenyl)acetamide?
(2R)-2-(1-benzylimidazol-2-yl)-2-cyano-N-(2-fluorophenyl)acetamide has a molecular weight of 334.35 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-benzylimidazol-2-yl)-2-cyano-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 97082617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).