2,2-difluoro-N-(3-methyl-5-phenylimidazol-4-yl)-2-(3-methyl-2-pyridinyl)acetamide

C18H16F2N4O — CID 100689114

IUPAC2,2-difluoro-N-(3-methyl-5-phenylimidazol-4-yl)-2-(3-methyl-2-pyridinyl)acetamide
SMILESCc1cccnc1C(F)(F)C(=O)Nc1c(-c2ccccc2)ncn1C
InChIInChI=1S/C18H16F2N4O/c1-12-7-6-10-21-15(12)18(19,20)17(25)23-16-14(22-11-24(16)2)13-8-4-3-5-9-13/h3-11H,1-2H3,(H,23,25)
InChIKeySAOIGVOGTQNYRI-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.52
Rot. Bonds4

About 2,2-difluoro-N-(3-methyl-5-phenylimidazol-4-yl)-2-(3-methyl-2-pyridinyl)acetamide

2,2-difluoro-N-(3-methyl-5-phenylimidazol-4-yl)-2-(3-methyl-2-pyridinyl)acetamide (PubChem CID 100689114) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is 2,2-difluoro-N-(3-methyl-5-phenylimidazol-4-yl)-2-(3-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(3-methyl-5-phenylimidazol-4-yl)-2-(3-methyl-2-pyridinyl)acetamide
PubChem CID100689114
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC Name2,2-difluoro-N-(3-methyl-5-phenylimidazol-4-yl)-2-(3-methyl-2-pyridinyl)acetamide
SMILESCc1cccnc1C(F)(F)C(=O)Nc1c(-c2ccccc2)ncn1C
InChIInChI=1S/C18H16F2N4O/c1-12-7-6-10-21-15(12)18(19,20)17(25)23-16-14(22-11-24(16)2)13-8-4-3-5-9-13/h3-11H,1-2H3,(H,23,25)
InChIKeySAOIGVOGTQNYRI-UHFFFAOYSA-N
XLogP3.52
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(3-methyl-5-phenylimidazol-4-yl)-2-(3-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2,2-difluoro-N-(3-methyl-5-phenylimidazol-4-yl)-2-(3-methyl-2-pyridinyl)acetamide (CID 100689114) is 2,2-difluoro-N-(3-methyl-5-phenylimidazol-4-yl)-2-(3-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(3-methyl-5-phenylimidazol-4-yl)-2-(3-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(3-methyl-5-phenylimidazol-4-yl)-2-(3-methyl-2-pyridinyl)acetamide is Cc1cccnc1C(F)(F)C(=O)Nc1c(-c2ccccc2)ncn1C.
What is the InChIKey of 2,2-difluoro-N-(3-methyl-5-phenylimidazol-4-yl)-2-(3-methyl-2-pyridinyl)acetamide?
The InChIKey is SAOIGVOGTQNYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O/c1-12-7-6-10-21-15(12)18(19,20)17(25)23-16-14(22-11-24(16)2)13-8-4-3-5-9-13/h3-11H,1-2H3,(H,23,25).
What are the key properties of 2,2-difluoro-N-(3-methyl-5-phenylimidazol-4-yl)-2-(3-methyl-2-pyridinyl)acetamide?
2,2-difluoro-N-(3-methyl-5-phenylimidazol-4-yl)-2-(3-methyl-2-pyridinyl)acetamide has a molecular weight of 342.35 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(3-methyl-5-phenylimidazol-4-yl)-2-(3-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 100689114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).