2-N-(4-aminocyclohexyl)-3-(3,5-difluorobenzoyl)-1-N-ethylimidazolidine-1,2-dicarboxamide

C20H27F2N5O3 — CID 23791308

IUPAC2-N-(4-aminocyclohexyl)-3-(3,5-difluorobenzoyl)-1-N-ethylimidazolidine-1,2-dicarboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2cc(F)cc(F)c2)C1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C20H27F2N5O3/c1-2-24-20(30)27-8-7-26(19(29)12-9-13(21)11-14(22)10-12)18(27)17(28)25-16-5-3-15(23)4-6-16/h9-11,15-16,18H,2-8,23H2,1H3,(H,24,30)(H,25,28)
InChIKeySXTBTSMXKZCAQI-UHFFFAOYSA-N
MW423.46 g/mol
LogP1.16
Rot. Bonds4

About 2-N-(4-aminocyclohexyl)-3-(3,5-difluorobenzoyl)-1-N-ethylimidazolidine-1,2-dicarboxamide

2-N-(4-aminocyclohexyl)-3-(3,5-difluorobenzoyl)-1-N-ethylimidazolidine-1,2-dicarboxamide (PubChem CID 23791308) has the molecular formula C20H27F2N5O3 and a molecular weight of 423.46 g/mol. Its IUPAC name is 2-N-(4-aminocyclohexyl)-3-(3,5-difluorobenzoyl)-1-N-ethylimidazolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-aminocyclohexyl)-3-(3,5-difluorobenzoyl)-1-N-ethylimidazolidine-1,2-dicarboxamide
PubChem CID23791308
Molecular FormulaC20H27F2N5O3
Molecular Weight423.46 g/mol
Exact Mass423.21
IUPAC Name2-N-(4-aminocyclohexyl)-3-(3,5-difluorobenzoyl)-1-N-ethylimidazolidine-1,2-dicarboxamide
SMILESCCNC(=O)N1CCN(C(=O)c2cc(F)cc(F)c2)C1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C20H27F2N5O3/c1-2-24-20(30)27-8-7-26(19(29)12-9-13(21)11-14(22)10-12)18(27)17(28)25-16-5-3-15(23)4-6-16/h9-11,15-16,18H,2-8,23H2,1H3,(H,24,30)(H,25,28)
InChIKeySXTBTSMXKZCAQI-UHFFFAOYSA-N
XLogP1.16
TPSA107.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4-aminocyclohexyl)-3-(3,5-difluorobenzoyl)-1-N-ethylimidazolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(4-aminocyclohexyl)-3-(3,5-difluorobenzoyl)-1-N-ethylimidazolidine-1,2-dicarboxamide (CID 23791308) is 2-N-(4-aminocyclohexyl)-3-(3,5-difluorobenzoyl)-1-N-ethylimidazolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(4-aminocyclohexyl)-3-(3,5-difluorobenzoyl)-1-N-ethylimidazolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(4-aminocyclohexyl)-3-(3,5-difluorobenzoyl)-1-N-ethylimidazolidine-1,2-dicarboxamide is CCNC(=O)N1CCN(C(=O)c2cc(F)cc(F)c2)C1C(=O)NC1CCC(N)CC1.
What is the InChIKey of 2-N-(4-aminocyclohexyl)-3-(3,5-difluorobenzoyl)-1-N-ethylimidazolidine-1,2-dicarboxamide?
The InChIKey is SXTBTSMXKZCAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N5O3/c1-2-24-20(30)27-8-7-26(19(29)12-9-13(21)11-14(22)10-12)18(27)17(28)25-16-5-3-15(23)4-6-16/h9-11,15-16,18H,2-8,23H2,1H3,(H,24,30)(H,25,28).
What are the key properties of 2-N-(4-aminocyclohexyl)-3-(3,5-difluorobenzoyl)-1-N-ethylimidazolidine-1,2-dicarboxamide?
2-N-(4-aminocyclohexyl)-3-(3,5-difluorobenzoyl)-1-N-ethylimidazolidine-1,2-dicarboxamide has a molecular weight of 423.46 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-aminocyclohexyl)-3-(3,5-difluorobenzoyl)-1-N-ethylimidazolidine-1,2-dicarboxamide is sourced from PubChem (CID 23791308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).