N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-imidazole-5-carboxamide

C11H16F2N4O2 — CID 138036109

IUPACN-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-imidazole-5-carboxamide
SMILESCn1cc(C(=O)NC2CCN(CC(F)F)C2)[nH]c1=O
InChIInChI=1S/C11H16F2N4O2/c1-16-5-8(15-11(16)19)10(18)14-7-2-3-17(4-7)6-9(12)13/h5,7,9H,2-4,6H2,1H3,(H,14,18)(H,15,19)
InChIKeyUCUVIRAZUMYEPR-UHFFFAOYSA-N
MW274.27 g/mol
LogP-0.22
Rot. Bonds4

About N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-imidazole-5-carboxamide

N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-imidazole-5-carboxamide (PubChem CID 138036109) has the molecular formula C11H16F2N4O2 and a molecular weight of 274.27 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-imidazole-5-carboxamide
PubChem CID138036109
Molecular FormulaC11H16F2N4O2
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC NameN-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-imidazole-5-carboxamide
SMILESCn1cc(C(=O)NC2CCN(CC(F)F)C2)[nH]c1=O
InChIInChI=1S/C11H16F2N4O2/c1-16-5-8(15-11(16)19)10(18)14-7-2-3-17(4-7)6-9(12)13/h5,7,9H,2-4,6H2,1H3,(H,14,18)(H,15,19)
InChIKeyUCUVIRAZUMYEPR-UHFFFAOYSA-N
XLogP-0.22
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-imidazole-5-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-imidazole-5-carboxamide (CID 138036109) is N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-imidazole-5-carboxamide is Cn1cc(C(=O)NC2CCN(CC(F)F)C2)[nH]c1=O.
What is the InChIKey of N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-imidazole-5-carboxamide?
The InChIKey is UCUVIRAZUMYEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4O2/c1-16-5-8(15-11(16)19)10(18)14-7-2-3-17(4-7)6-9(12)13/h5,7,9H,2-4,6H2,1H3,(H,14,18)(H,15,19).
What are the key properties of N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-imidazole-5-carboxamide?
N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-imidazole-5-carboxamide has a molecular weight of 274.27 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-imidazole-5-carboxamide is sourced from PubChem (CID 138036109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).