2-[4-(difluoromethoxy)-3-fluorophenyl]-N-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetamide

C15H14F3N3O2 — CID 164636433

IUPAC2-[4-(difluoromethoxy)-3-fluorophenyl]-N-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetamide
SMILESO=C(Cc1ccc(OC(F)F)c(F)c1)N[C@H]1CCn2ccnc21
InChIInChI=1S/C15H14F3N3O2/c16-10-7-9(1-2-12(10)23-15(17)18)8-13(22)20-11-3-5-21-6-4-19-14(11)21/h1-2,4,6-7,11,15H,3,5,8H2,(H,20,22)/t11-/m0/s1
InChIKeyLHGYVGKGNJIZOZ-NSHDSACASA-N
MW325.29 g/mol
LogP2.43
Rot. Bonds5

About 2-[4-(difluoromethoxy)-3-fluorophenyl]-N-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetamide

2-[4-(difluoromethoxy)-3-fluorophenyl]-N-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetamide (PubChem CID 164636433) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)-3-fluorophenyl]-N-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)-3-fluorophenyl]-N-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetamide
PubChem CID164636433
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Name2-[4-(difluoromethoxy)-3-fluorophenyl]-N-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetamide
SMILESO=C(Cc1ccc(OC(F)F)c(F)c1)N[C@H]1CCn2ccnc21
InChIInChI=1S/C15H14F3N3O2/c16-10-7-9(1-2-12(10)23-15(17)18)8-13(22)20-11-3-5-21-6-4-19-14(11)21/h1-2,4,6-7,11,15H,3,5,8H2,(H,20,22)/t11-/m0/s1
InChIKeyLHGYVGKGNJIZOZ-NSHDSACASA-N
XLogP2.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(difluoromethoxy)-3-fluorophenyl]-N-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)-3-fluorophenyl]-N-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetamide?
The IUPAC name of 2-[4-(difluoromethoxy)-3-fluorophenyl]-N-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetamide (CID 164636433) is 2-[4-(difluoromethoxy)-3-fluorophenyl]-N-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)-3-fluorophenyl]-N-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetamide?
The canonical SMILES for 2-[4-(difluoromethoxy)-3-fluorophenyl]-N-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetamide is O=C(Cc1ccc(OC(F)F)c(F)c1)N[C@H]1CCn2ccnc21.
What is the InChIKey of 2-[4-(difluoromethoxy)-3-fluorophenyl]-N-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetamide?
The InChIKey is LHGYVGKGNJIZOZ-NSHDSACASA-N. The full InChI is InChI=1S/C15H14F3N3O2/c16-10-7-9(1-2-12(10)23-15(17)18)8-13(22)20-11-3-5-21-6-4-19-14(11)21/h1-2,4,6-7,11,15H,3,5,8H2,(H,20,22)/t11-/m0/s1.
What are the key properties of 2-[4-(difluoromethoxy)-3-fluorophenyl]-N-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetamide?
2-[4-(difluoromethoxy)-3-fluorophenyl]-N-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetamide has a molecular weight of 325.29 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)-3-fluorophenyl]-N-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetamide is sourced from PubChem (CID 164636433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).