N-[1-[2-(2,2-difluorocyclopentyl)acetyl]pyrrolidin-3-yl]-1-ethyl-N-propylimidazole-2-carboxamide

C20H30F2N4O2 — CID 166297934

IUPACN-[1-[2-(2,2-difluorocyclopentyl)acetyl]pyrrolidin-3-yl]-1-ethyl-N-propylimidazole-2-carboxamide
SMILESCCCN(C(=O)c1nccn1CC)C1CCN(C(=O)CC2CCCC2(F)F)C1
InChIInChI=1S/C20H30F2N4O2/c1-3-10-26(19(28)18-23-9-12-24(18)4-2)16-7-11-25(14-16)17(27)13-15-6-5-8-20(15,21)22/h9,12,15-16H,3-8,10-11,13-14H2,1-2H3
InChIKeyYFKQNMYLMHVEPC-UHFFFAOYSA-N
MW396.48 g/mol
LogP3.18
Rot. Bonds7

About N-[1-[2-(2,2-difluorocyclopentyl)acetyl]pyrrolidin-3-yl]-1-ethyl-N-propylimidazole-2-carboxamide

N-[1-[2-(2,2-difluorocyclopentyl)acetyl]pyrrolidin-3-yl]-1-ethyl-N-propylimidazole-2-carboxamide (PubChem CID 166297934) has the molecular formula C20H30F2N4O2 and a molecular weight of 396.48 g/mol. Its IUPAC name is N-[1-[2-(2,2-difluorocyclopentyl)acetyl]pyrrolidin-3-yl]-1-ethyl-N-propylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(2,2-difluorocyclopentyl)acetyl]pyrrolidin-3-yl]-1-ethyl-N-propylimidazole-2-carboxamide
PubChem CID166297934
Molecular FormulaC20H30F2N4O2
Molecular Weight396.48 g/mol
Exact Mass396.23
IUPAC NameN-[1-[2-(2,2-difluorocyclopentyl)acetyl]pyrrolidin-3-yl]-1-ethyl-N-propylimidazole-2-carboxamide
SMILESCCCN(C(=O)c1nccn1CC)C1CCN(C(=O)CC2CCCC2(F)F)C1
InChIInChI=1S/C20H30F2N4O2/c1-3-10-26(19(28)18-23-9-12-24(18)4-2)16-7-11-25(14-16)17(27)13-15-6-5-8-20(15,21)22/h9,12,15-16H,3-8,10-11,13-14H2,1-2H3
InChIKeyYFKQNMYLMHVEPC-UHFFFAOYSA-N
XLogP3.18
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,2-difluorocyclopentyl)acetyl]pyrrolidin-3-yl]-1-ethyl-N-propylimidazole-2-carboxamide?
The IUPAC name of N-[1-[2-(2,2-difluorocyclopentyl)acetyl]pyrrolidin-3-yl]-1-ethyl-N-propylimidazole-2-carboxamide (CID 166297934) is N-[1-[2-(2,2-difluorocyclopentyl)acetyl]pyrrolidin-3-yl]-1-ethyl-N-propylimidazole-2-carboxamide.
What is the SMILES notation for N-[1-[2-(2,2-difluorocyclopentyl)acetyl]pyrrolidin-3-yl]-1-ethyl-N-propylimidazole-2-carboxamide?
The canonical SMILES for N-[1-[2-(2,2-difluorocyclopentyl)acetyl]pyrrolidin-3-yl]-1-ethyl-N-propylimidazole-2-carboxamide is CCCN(C(=O)c1nccn1CC)C1CCN(C(=O)CC2CCCC2(F)F)C1.
What is the InChIKey of N-[1-[2-(2,2-difluorocyclopentyl)acetyl]pyrrolidin-3-yl]-1-ethyl-N-propylimidazole-2-carboxamide?
The InChIKey is YFKQNMYLMHVEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F2N4O2/c1-3-10-26(19(28)18-23-9-12-24(18)4-2)16-7-11-25(14-16)17(27)13-15-6-5-8-20(15,21)22/h9,12,15-16H,3-8,10-11,13-14H2,1-2H3.
What are the key properties of N-[1-[2-(2,2-difluorocyclopentyl)acetyl]pyrrolidin-3-yl]-1-ethyl-N-propylimidazole-2-carboxamide?
N-[1-[2-(2,2-difluorocyclopentyl)acetyl]pyrrolidin-3-yl]-1-ethyl-N-propylimidazole-2-carboxamide has a molecular weight of 396.48 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,2-difluorocyclopentyl)acetyl]pyrrolidin-3-yl]-1-ethyl-N-propylimidazole-2-carboxamide is sourced from PubChem (CID 166297934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).