(3,3-difluoropyrrolidin-1-yl)-(3-propan-2-yl-1,2-dihydroimidazol-5-yl)methanone

C11H17F2N3O — CID 177230238

IUPAC(3,3-difluoropyrrolidin-1-yl)-(3-propan-2-yl-1,2-dihydroimidazol-5-yl)methanone
SMILESCC(C)N1C=C(C(=O)N2CCC(F)(F)C2)NC1
InChIInChI=1S/C11H17F2N3O/c1-8(2)16-5-9(14-7-16)10(17)15-4-3-11(12,13)6-15/h5,8,14H,3-4,6-7H2,1-2H3
InChIKeyOOMVMQLZFAULOA-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.97
Rot. Bonds2

About (3,3-difluoropyrrolidin-1-yl)-(3-propan-2-yl-1,2-dihydroimidazol-5-yl)methanone

(3,3-difluoropyrrolidin-1-yl)-(3-propan-2-yl-1,2-dihydroimidazol-5-yl)methanone (PubChem CID 177230238) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is (3,3-difluoropyrrolidin-1-yl)-(3-propan-2-yl-1,2-dihydroimidazol-5-yl)methanone.

Molecular Properties

Compound Name(3,3-difluoropyrrolidin-1-yl)-(3-propan-2-yl-1,2-dihydroimidazol-5-yl)methanone
PubChem CID177230238
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name(3,3-difluoropyrrolidin-1-yl)-(3-propan-2-yl-1,2-dihydroimidazol-5-yl)methanone
SMILESCC(C)N1C=C(C(=O)N2CCC(F)(F)C2)NC1
InChIInChI=1S/C11H17F2N3O/c1-8(2)16-5-9(14-7-16)10(17)15-4-3-11(12,13)6-15/h5,8,14H,3-4,6-7H2,1-2H3
InChIKeyOOMVMQLZFAULOA-UHFFFAOYSA-N
XLogP0.97
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,3-difluoropyrrolidin-1-yl)-1H-pyrimidine-2,4-dione
CID 156340837
3-methyl-4-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1H-imidazol-2-one
CID 138016784
3-methyl-2-oxo-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-imidazole-5-carboxamide
CID 138034273
N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-imidazole-5-carboxamide
CID 138036109
3-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-2-oxo-1H-imidazole-5-carboxamide
CID 69526753
N,N-dibutyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 23629776
N,N-di(butan-2-yl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 23629777
4-(3-Aminopyrrolidine-1-carbonyl)-1,3-dihydroimidazol-2-one
CID 62067810
N-methyl-2-oxo-N-pyrrolidin-3-yl-1,3-dihydroimidazole-4-carboxamide
CID 63297697
N-ethyl-2-oxo-N-pyrrolidin-3-yl-1,3-dihydroimidazole-4-carboxamide
CID 63299290
2-oxo-N-propyl-N-pyrrolidin-3-yl-1,3-dihydroimidazole-4-carboxamide
CID 63300711
4-[(3S)-3-aminopyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 94339921

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropyrrolidin-1-yl)-(3-propan-2-yl-1,2-dihydroimidazol-5-yl)methanone?
The IUPAC name of (3,3-difluoropyrrolidin-1-yl)-(3-propan-2-yl-1,2-dihydroimidazol-5-yl)methanone (CID 177230238) is (3,3-difluoropyrrolidin-1-yl)-(3-propan-2-yl-1,2-dihydroimidazol-5-yl)methanone.
What is the SMILES notation for (3,3-difluoropyrrolidin-1-yl)-(3-propan-2-yl-1,2-dihydroimidazol-5-yl)methanone?
The canonical SMILES for (3,3-difluoropyrrolidin-1-yl)-(3-propan-2-yl-1,2-dihydroimidazol-5-yl)methanone is CC(C)N1C=C(C(=O)N2CCC(F)(F)C2)NC1.
What is the InChIKey of (3,3-difluoropyrrolidin-1-yl)-(3-propan-2-yl-1,2-dihydroimidazol-5-yl)methanone?
The InChIKey is OOMVMQLZFAULOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c1-8(2)16-5-9(14-7-16)10(17)15-4-3-11(12,13)6-15/h5,8,14H,3-4,6-7H2,1-2H3.
What are the key properties of (3,3-difluoropyrrolidin-1-yl)-(3-propan-2-yl-1,2-dihydroimidazol-5-yl)methanone?
(3,3-difluoropyrrolidin-1-yl)-(3-propan-2-yl-1,2-dihydroimidazol-5-yl)methanone has a molecular weight of 245.27 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropyrrolidin-1-yl)-(3-propan-2-yl-1,2-dihydroimidazol-5-yl)methanone is sourced from PubChem (CID 177230238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).