5-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-ethyl-1H-imidazole-2-carboxamide

C12H16F2N4O2 — CID 147438080

IUPAC5-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-ethyl-1H-imidazole-2-carboxamide
SMILESCCNC(=O)c1ncc(C(=O)N2CC(F)(F)C[C@@H]2C)[nH]1
InChIInChI=1S/C12H16F2N4O2/c1-3-15-10(19)9-16-5-8(17-9)11(20)18-6-12(13,14)4-7(18)2/h5,7H,3-4,6H2,1-2H3,(H,15,19)(H,16,17)/t7-/m0/s1
InChIKeyDVRFGTAAMSJHJI-ZETCQYMHSA-N
MW286.28 g/mol
LogP1.03
Rot. Bonds3

About 5-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-ethyl-1H-imidazole-2-carboxamide

5-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-ethyl-1H-imidazole-2-carboxamide (PubChem CID 147438080) has the molecular formula C12H16F2N4O2 and a molecular weight of 286.28 g/mol. Its IUPAC name is 5-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-ethyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-ethyl-1H-imidazole-2-carboxamide
PubChem CID147438080
Molecular FormulaC12H16F2N4O2
Molecular Weight286.28 g/mol
Exact Mass286.12
IUPAC Name5-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-ethyl-1H-imidazole-2-carboxamide
SMILESCCNC(=O)c1ncc(C(=O)N2CC(F)(F)C[C@@H]2C)[nH]1
InChIInChI=1S/C12H16F2N4O2/c1-3-15-10(19)9-16-5-8(17-9)11(20)18-6-12(13,14)4-7(18)2/h5,7H,3-4,6H2,1-2H3,(H,15,19)(H,16,17)/t7-/m0/s1
InChIKeyDVRFGTAAMSJHJI-ZETCQYMHSA-N
XLogP1.03
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-ethyl-1H-imidazole-2-carboxamide?
The IUPAC name of 5-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-ethyl-1H-imidazole-2-carboxamide (CID 147438080) is 5-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-ethyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-ethyl-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-ethyl-1H-imidazole-2-carboxamide is CCNC(=O)c1ncc(C(=O)N2CC(F)(F)C[C@@H]2C)[nH]1.
What is the InChIKey of 5-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-ethyl-1H-imidazole-2-carboxamide?
The InChIKey is DVRFGTAAMSJHJI-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H16F2N4O2/c1-3-15-10(19)9-16-5-8(17-9)11(20)18-6-12(13,14)4-7(18)2/h5,7H,3-4,6H2,1-2H3,(H,15,19)(H,16,17)/t7-/m0/s1.
What are the key properties of 5-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-ethyl-1H-imidazole-2-carboxamide?
5-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-ethyl-1H-imidazole-2-carboxamide has a molecular weight of 286.28 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-ethyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 147438080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).