2-[(1S)-2,2-difluorocyclopropyl]-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide

C12H17F2N3O — CID 125438130

IUPAC2-[(1S)-2,2-difluorocyclopropyl]-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide
SMILESCC(C)n1ccnc1CNC(=O)C[C@H]1CC1(F)F
InChIInChI=1S/C12H17F2N3O/c1-8(2)17-4-3-15-10(17)7-16-11(18)5-9-6-12(9,13)14/h3-4,8-9H,5-7H2,1-2H3,(H,16,18)/t9-/m0/s1
InChIKeyXYQUCFPNHMSBPR-VIFPVBQESA-N
MW257.28 g/mol
LogP2.13
Rot. Bonds5

About 2-[(1S)-2,2-difluorocyclopropyl]-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide

2-[(1S)-2,2-difluorocyclopropyl]-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide (PubChem CID 125438130) has the molecular formula C12H17F2N3O and a molecular weight of 257.28 g/mol. Its IUPAC name is 2-[(1S)-2,2-difluorocyclopropyl]-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(1S)-2,2-difluorocyclopropyl]-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide
PubChem CID125438130
Molecular FormulaC12H17F2N3O
Molecular Weight257.28 g/mol
Exact Mass257.13
IUPAC Name2-[(1S)-2,2-difluorocyclopropyl]-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide
SMILESCC(C)n1ccnc1CNC(=O)C[C@H]1CC1(F)F
InChIInChI=1S/C12H17F2N3O/c1-8(2)17-4-3-15-10(17)7-16-11(18)5-9-6-12(9,13)14/h3-4,8-9H,5-7H2,1-2H3,(H,16,18)/t9-/m0/s1
InChIKeyXYQUCFPNHMSBPR-VIFPVBQESA-N
XLogP2.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2,2-difluorocyclopropyl]-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[(1S)-2,2-difluorocyclopropyl]-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide (CID 125438130) is 2-[(1S)-2,2-difluorocyclopropyl]-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[(1S)-2,2-difluorocyclopropyl]-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[(1S)-2,2-difluorocyclopropyl]-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide is CC(C)n1ccnc1CNC(=O)C[C@H]1CC1(F)F.
What is the InChIKey of 2-[(1S)-2,2-difluorocyclopropyl]-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide?
The InChIKey is XYQUCFPNHMSBPR-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17F2N3O/c1-8(2)17-4-3-15-10(17)7-16-11(18)5-9-6-12(9,13)14/h3-4,8-9H,5-7H2,1-2H3,(H,16,18)/t9-/m0/s1.
What are the key properties of 2-[(1S)-2,2-difluorocyclopropyl]-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide?
2-[(1S)-2,2-difluorocyclopropyl]-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide has a molecular weight of 257.28 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2,2-difluorocyclopropyl]-N-[(1-propan-2-ylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 125438130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).