1-cyclohexyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea

C12H20N4O3 — CID 110747875

IUPAC1-cyclohexyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea
SMILESO=C(NCCN1C(=O)CNC1=O)NC1CCCCC1
InChIInChI=1S/C12H20N4O3/c17-10-8-14-12(19)16(10)7-6-13-11(18)15-9-4-2-1-3-5-9/h9H,1-8H2,(H,14,19)(H2,13,15,18)
InChIKeyZBLGNLCMXPSAIH-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.17
Rot. Bonds4

About 1-cyclohexyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea

1-cyclohexyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea (PubChem CID 110747875) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea
PubChem CID110747875
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name1-cyclohexyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea
SMILESO=C(NCCN1C(=O)CNC1=O)NC1CCCCC1
InChIInChI=1S/C12H20N4O3/c17-10-8-14-12(19)16(10)7-6-13-11(18)15-9-4-2-1-3-5-9/h9H,1-8H2,(H,14,19)(H2,13,15,18)
InChIKeyZBLGNLCMXPSAIH-UHFFFAOYSA-N
XLogP0.17
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2-methylguanidine
CID 111123536
1-cyclopentyl-2-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-3-ethylguanidine
CID 111826650
N-cyclohexyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 27670779
1-(2,2-dimethylpropyl)-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea
CID 110747884
1-cyclohexyl-3-(2-piperazin-1-ylethyl)urea
CID 4056008
N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]-2,2-dimethylpropanamide
CID 110719069
1-cyclohexyl-3-(2-pyrrol-1-ylethyl)urea
CID 110747679
1-cyclopentyl-3-[2-(3-oxomorpholin-4-yl)ethyl]urea
CID 110748156
1-cyclopentyl-3-[2-(2,5-dimethylpyrrol-1-yl)ethyl]urea
CID 110747697
1-cyclohexyl-3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]urea
CID 47012814
1-cycloheptyl-3-(2-morpholin-4-ylethyl)urea
CID 47163906
1-cyclobutyl-3-(2-pyrrolidin-1-ylethyl)urea
CID 115617971

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea (CID 110747875) is 1-cyclohexyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea is O=C(NCCN1C(=O)CNC1=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea?
The InChIKey is ZBLGNLCMXPSAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c17-10-8-14-12(19)16(10)7-6-13-11(18)15-9-4-2-1-3-5-9/h9H,1-8H2,(H,14,19)(H2,13,15,18).
What are the key properties of 1-cyclohexyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea?
1-cyclohexyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea has a molecular weight of 268.32 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]urea is sourced from PubChem (CID 110747875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).