5-[2-(3,3-difluorocyclopentyl)ethyl]-2-methoxy-4-methylimidazole-1-carboxamide

C13H19F2N3O2 — CID 175765355

IUPAC5-[2-(3,3-difluorocyclopentyl)ethyl]-2-methoxy-4-methylimidazole-1-carboxamide
SMILESCOc1nc(C)c(CCC2CCC(F)(F)C2)n1C(N)=O
InChIInChI=1S/C13H19F2N3O2/c1-8-10(18(11(16)19)12(17-8)20-2)4-3-9-5-6-13(14,15)7-9/h9H,3-7H2,1-2H3,(H2,16,19)
InChIKeyQNNFLXKCIJJFTB-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.49
Rot. Bonds4

About 5-[2-(3,3-difluorocyclopentyl)ethyl]-2-methoxy-4-methylimidazole-1-carboxamide

5-[2-(3,3-difluorocyclopentyl)ethyl]-2-methoxy-4-methylimidazole-1-carboxamide (PubChem CID 175765355) has the molecular formula C13H19F2N3O2 and a molecular weight of 287.31 g/mol. Its IUPAC name is 5-[2-(3,3-difluorocyclopentyl)ethyl]-2-methoxy-4-methylimidazole-1-carboxamide.

Molecular Properties

Compound Name5-[2-(3,3-difluorocyclopentyl)ethyl]-2-methoxy-4-methylimidazole-1-carboxamide
PubChem CID175765355
Molecular FormulaC13H19F2N3O2
Molecular Weight287.31 g/mol
Exact Mass287.14
IUPAC Name5-[2-(3,3-difluorocyclopentyl)ethyl]-2-methoxy-4-methylimidazole-1-carboxamide
SMILESCOc1nc(C)c(CCC2CCC(F)(F)C2)n1C(N)=O
InChIInChI=1S/C13H19F2N3O2/c1-8-10(18(11(16)19)12(17-8)20-2)4-3-9-5-6-13(14,15)7-9/h9H,3-7H2,1-2H3,(H2,16,19)
InChIKeyQNNFLXKCIJJFTB-UHFFFAOYSA-N
XLogP2.49
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,3-difluorocyclopentyl)ethyl]-2-methoxy-4-methylimidazole-1-carboxamide?
The IUPAC name of 5-[2-(3,3-difluorocyclopentyl)ethyl]-2-methoxy-4-methylimidazole-1-carboxamide (CID 175765355) is 5-[2-(3,3-difluorocyclopentyl)ethyl]-2-methoxy-4-methylimidazole-1-carboxamide.
What is the SMILES notation for 5-[2-(3,3-difluorocyclopentyl)ethyl]-2-methoxy-4-methylimidazole-1-carboxamide?
The canonical SMILES for 5-[2-(3,3-difluorocyclopentyl)ethyl]-2-methoxy-4-methylimidazole-1-carboxamide is COc1nc(C)c(CCC2CCC(F)(F)C2)n1C(N)=O.
What is the InChIKey of 5-[2-(3,3-difluorocyclopentyl)ethyl]-2-methoxy-4-methylimidazole-1-carboxamide?
The InChIKey is QNNFLXKCIJJFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O2/c1-8-10(18(11(16)19)12(17-8)20-2)4-3-9-5-6-13(14,15)7-9/h9H,3-7H2,1-2H3,(H2,16,19).
What are the key properties of 5-[2-(3,3-difluorocyclopentyl)ethyl]-2-methoxy-4-methylimidazole-1-carboxamide?
5-[2-(3,3-difluorocyclopentyl)ethyl]-2-methoxy-4-methylimidazole-1-carboxamide has a molecular weight of 287.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,3-difluorocyclopentyl)ethyl]-2-methoxy-4-methylimidazole-1-carboxamide is sourced from PubChem (CID 175765355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).