2-[3-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide

C23H28ClN5O3 — CID 90634938

IUPAC2-[3-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)CN3CCN(c4cccc(Cl)c4)C3=O)CC2)n1
InChIInChI=1S/C23H28ClN5O3/c1-15-12-16(2)26-22(25-15)32-20-8-6-18(7-9-20)27-21(30)14-28-10-11-29(23(28)31)19-5-3-4-17(24)13-19/h3-5,12-13,18,20H,6-11,14H2,1-2H3,(H,27,30)
InChIKeyFPUXOFIONKXUAJ-UHFFFAOYSA-N
MW457.96 g/mol
LogP3.50
Rot. Bonds6

About 2-[3-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide

2-[3-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide (PubChem CID 90634938) has the molecular formula C23H28ClN5O3 and a molecular weight of 457.96 g/mol. Its IUPAC name is 2-[3-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide.

Molecular Properties

Compound Name2-[3-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide
PubChem CID90634938
Molecular FormulaC23H28ClN5O3
Molecular Weight457.96 g/mol
Exact Mass457.19
IUPAC Name2-[3-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)CN3CCN(c4cccc(Cl)c4)C3=O)CC2)n1
InChIInChI=1S/C23H28ClN5O3/c1-15-12-16(2)26-22(25-15)32-20-8-6-18(7-9-20)27-21(30)14-28-10-11-29(23(28)31)19-5-3-4-17(24)13-19/h3-5,12-13,18,20H,6-11,14H2,1-2H3,(H,27,30)
InChIKeyFPUXOFIONKXUAJ-UHFFFAOYSA-N
XLogP3.50
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.96
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]acetamide
CID 90634935
2-[3-(4-fluorophenyl)-2-oxoimidazolidin-1-yl]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 90633456
N-[(3S)-1-(3-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 125170725
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide
CID 90634754
1-(3-chlorophenyl)-3-[2-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]imidazolidin-2-one
CID 122259541
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[3-(2-methoxyphenyl)-2-oxoimidazolidin-1-yl]acetamide
CID 90634432
2-[3-(4-aminophenyl)-2-oxoimidazolidin-1-yl]-N-cyclopropylacetamide
CID 62678312
ethyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]carbamate
CID 90634770
1-(3-chlorophenyl)-3-[2-oxo-2-(3-pyrimidin-4-yloxypyrrolidin-1-yl)ethyl]imidazolidin-2-one
CID 122243384
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide
CID 91626469
3-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-1,1-diethylurea
CID 90634997
ethyl 4-[[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 55575078

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide?
The IUPAC name of 2-[3-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide (CID 90634938) is 2-[3-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide.
What is the SMILES notation for 2-[3-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide?
The canonical SMILES for 2-[3-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide is Cc1cc(C)nc(OC2CCC(NC(=O)CN3CCN(c4cccc(Cl)c4)C3=O)CC2)n1.
What is the InChIKey of 2-[3-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide?
The InChIKey is FPUXOFIONKXUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O3/c1-15-12-16(2)26-22(25-15)32-20-8-6-18(7-9-20)27-21(30)14-28-10-11-29(23(28)31)19-5-3-4-17(24)13-19/h3-5,12-13,18,20H,6-11,14H2,1-2H3,(H,27,30).
What are the key properties of 2-[3-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide?
2-[3-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide has a molecular weight of 457.96 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenyl)-2-oxoimidazolidin-1-yl]-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide is sourced from PubChem (CID 90634938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).