[(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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Related Compounds

N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-propyl-1H-1,2,3-triazole-5-carboxamide
CID 56910576
1-(2-aminoethyl)-N-[3-(2-methyl-1H-imidazol-1-yl)propyl]-1H-1,2,3-triazole-4-carboxamide
CID 70739044
1-(2-aminoethyl)-N-[(1-propyl-1H-imidazol-2-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
CID 70744818
1-methyl-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-carboxamide
CID 125157749
1-(3-Methylimidazole-4-carbonyl)-3-(2,2,2-trifluoroethyl)imidazolidin-4-one
CID 128438680
(3,3-difluoropyrrolidin-1-yl)-(2-methyl-1H-imidazol-5-yl)methanone
CID 132291939
1-(2-Methyl-1-pyrrolidin-1-ylpropan-2-yl)-2-(trifluoromethyl)imidazole-4-carboxamide
CID 67547945
6-(3,3-difluoropyrrolidin-1-yl)-N-(1,2-dihydropyrazin-6-yl)-5,6-dihydroimidazo[1,2-b]pyridazine-3-carboxamide
CID 126709322
2-(4-methylpyrrolidin-3-yl)-7-(2,2,2-trifluoroethyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 136621760
12,12-Difluoro-6-propan-2-yl-1,5,7,8,10-pentazatricyclo[7.4.0.03,7]trideca-3,5,8-trien-2-one
CID 137014210
2-Amino-3-tert-butyl-7-(trifluoromethyl)imidazo[5,1-f][1,2,4]triazin-4-one
CID 139494979
12-(Methoxymethyl)-4-(4,4,4-trifluorobutyl)-1,2,4,7,11-pentazatricyclo[7.3.0.03,7]dodeca-2,9,11-trien-8-one
CID 145044638

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).