2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide

C21H24FN5O3 — CID 90633456

IUPAC2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)C1=O)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C21H24FN5O3/c22-15-2-6-17(7-3-15)27-13-12-26(21(27)29)14-19(28)25-16-4-8-18(9-5-16)30-20-23-10-1-11-24-20/h1-3,6-7,10-11,16,18H,4-5,8-9,12-14H2,(H,25,28)
InChIKeyAFYJYVWIZYGRBP-UHFFFAOYSA-N
MW413.45 g/mol
LogP2.36
Rot. Bonds6

About 2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide

2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide (PubChem CID 90633456) has the molecular formula C21H24FN5O3 and a molecular weight of 413.45 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
PubChem CID90633456
Molecular FormulaC21H24FN5O3
Molecular Weight413.45 g/mol
Exact Mass413.19
IUPAC Name2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)C1=O)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C21H24FN5O3/c22-15-2-6-17(7-3-15)27-13-12-26(21(27)29)14-19(28)25-16-4-8-18(9-5-16)30-20-23-10-1-11-24-20/h1-3,6-7,10-11,16,18H,4-5,8-9,12-14H2,(H,25,28)
InChIKeyAFYJYVWIZYGRBP-UHFFFAOYSA-N
XLogP2.36
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
The IUPAC name of 2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide (CID 90633456) is 2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide is O=C(CN1CCN(c2ccc(F)cc2)C1=O)NC1CCC(Oc2ncccn2)CC1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
The InChIKey is AFYJYVWIZYGRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O3/c22-15-2-6-17(7-3-15)27-13-12-26(21(27)29)14-19(28)25-16-4-8-18(9-5-16)30-20-23-10-1-11-24-20/h1-3,6-7,10-11,16,18H,4-5,8-9,12-14H2,(H,25,28).
What are the key properties of 2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide has a molecular weight of 413.45 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide is sourced from PubChem (CID 90633456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).