[(3R,4S)-3,4-difluoropyrrolidin-1-yl]-[2-methyl-1-(methylamino)imidazol-4-yl]methanone

C10H14F2N4O — CID 166827496

IUPAC[(3R,4S)-3,4-difluoropyrrolidin-1-yl]-[2-methyl-1-(methylamino)imidazol-4-yl]methanone
SMILESCNn1cc(C(=O)N2C[C@@H](F)[C@@H](F)C2)nc1C
InChIInChI=1S/C10H14F2N4O/c1-6-14-9(5-16(6)13-2)10(17)15-3-7(11)8(12)4-15/h5,7-8,13H,3-4H2,1-2H3/t7-,8+
InChIKeyACNPKYPGDYKNBX-OCAPTIKFSA-N
MW244.24 g/mol
LogP0.50
Rot. Bonds2

About [(3R,4S)-3,4-difluoropyrrolidin-1-yl]-[2-methyl-1-(methylamino)imidazol-4-yl]methanone

[(3R,4S)-3,4-difluoropyrrolidin-1-yl]-[2-methyl-1-(methylamino)imidazol-4-yl]methanone (PubChem CID 166827496) has the molecular formula C10H14F2N4O and a molecular weight of 244.24 g/mol. Its IUPAC name is [(3R,4S)-3,4-difluoropyrrolidin-1-yl]-[2-methyl-1-(methylamino)imidazol-4-yl]methanone.

Molecular Properties

Compound Name[(3R,4S)-3,4-difluoropyrrolidin-1-yl]-[2-methyl-1-(methylamino)imidazol-4-yl]methanone
PubChem CID166827496
Molecular FormulaC10H14F2N4O
Molecular Weight244.24 g/mol
Exact Mass244.11
IUPAC Name[(3R,4S)-3,4-difluoropyrrolidin-1-yl]-[2-methyl-1-(methylamino)imidazol-4-yl]methanone
SMILESCNn1cc(C(=O)N2C[C@@H](F)[C@@H](F)C2)nc1C
InChIInChI=1S/C10H14F2N4O/c1-6-14-9(5-16(6)13-2)10(17)15-3-7(11)8(12)4-15/h5,7-8,13H,3-4H2,1-2H3/t7-,8+
InChIKeyACNPKYPGDYKNBX-OCAPTIKFSA-N
XLogP0.50
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3,4-difluoropyrrolidin-1-yl]-[2-methyl-1-(methylamino)imidazol-4-yl]methanone?
The IUPAC name of [(3R,4S)-3,4-difluoropyrrolidin-1-yl]-[2-methyl-1-(methylamino)imidazol-4-yl]methanone (CID 166827496) is [(3R,4S)-3,4-difluoropyrrolidin-1-yl]-[2-methyl-1-(methylamino)imidazol-4-yl]methanone.
What is the SMILES notation for [(3R,4S)-3,4-difluoropyrrolidin-1-yl]-[2-methyl-1-(methylamino)imidazol-4-yl]methanone?
The canonical SMILES for [(3R,4S)-3,4-difluoropyrrolidin-1-yl]-[2-methyl-1-(methylamino)imidazol-4-yl]methanone is CNn1cc(C(=O)N2C[C@@H](F)[C@@H](F)C2)nc1C.
What is the InChIKey of [(3R,4S)-3,4-difluoropyrrolidin-1-yl]-[2-methyl-1-(methylamino)imidazol-4-yl]methanone?
The InChIKey is ACNPKYPGDYKNBX-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H14F2N4O/c1-6-14-9(5-16(6)13-2)10(17)15-3-7(11)8(12)4-15/h5,7-8,13H,3-4H2,1-2H3/t7-,8+.
What are the key properties of [(3R,4S)-3,4-difluoropyrrolidin-1-yl]-[2-methyl-1-(methylamino)imidazol-4-yl]methanone?
[(3R,4S)-3,4-difluoropyrrolidin-1-yl]-[2-methyl-1-(methylamino)imidazol-4-yl]methanone has a molecular weight of 244.24 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3,4-difluoropyrrolidin-1-yl]-[2-methyl-1-(methylamino)imidazol-4-yl]methanone is sourced from PubChem (CID 166827496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).