1-[1,3-dimethyl-2-oxo-5-(propylcarbamoylamino)imidazolidin-4-yl]-3-propylurea

C13H26N6O3 — CID 656368

IUPAC1-[1,3-dimethyl-2-oxo-5-(propylcarbamoylamino)imidazolidin-4-yl]-3-propylurea
SMILESCCCNC(=O)NC1C(NC(=O)NCCC)N(C)C(=O)N1C
InChIInChI=1S/C13H26N6O3/c1-5-7-14-11(20)16-9-10(17-12(21)15-8-6-2)19(4)13(22)18(9)3/h9-10H,5-8H2,1-4H3,(H2,14,16,20)(H2,15,17,21)
InChIKeyBJIJZMUZMSFHAB-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.05
Rot. Bonds6

About 1-[1,3-dimethyl-2-oxo-5-(propylcarbamoylamino)imidazolidin-4-yl]-3-propylurea

1-[1,3-dimethyl-2-oxo-5-(propylcarbamoylamino)imidazolidin-4-yl]-3-propylurea (PubChem CID 656368) has the molecular formula C13H26N6O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[1,3-dimethyl-2-oxo-5-(propylcarbamoylamino)imidazolidin-4-yl]-3-propylurea.

Molecular Properties

Compound Name1-[1,3-dimethyl-2-oxo-5-(propylcarbamoylamino)imidazolidin-4-yl]-3-propylurea
PubChem CID656368
Molecular FormulaC13H26N6O3
Molecular Weight314.39 g/mol
Exact Mass314.21
IUPAC Name1-[1,3-dimethyl-2-oxo-5-(propylcarbamoylamino)imidazolidin-4-yl]-3-propylurea
SMILESCCCNC(=O)NC1C(NC(=O)NCCC)N(C)C(=O)N1C
InChIInChI=1S/C13H26N6O3/c1-5-7-14-11(20)16-9-10(17-12(21)15-8-6-2)19(4)13(22)18(9)3/h9-10H,5-8H2,1-4H3,(H2,14,16,20)(H2,15,17,21)
InChIKeyBJIJZMUZMSFHAB-UHFFFAOYSA-N
XLogP0.05
TPSA105.81 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4S,5S)-1,3-dimethyl-5-(2-methylpropylcarbamoylamino)-2-oxoimidazolidin-4-yl]-3-(2-methylpropyl)urea
CID 7190812
1-(1-hydroxy-2-methylpropan-2-yl)-3-[(4R,5R)-5-[(1-hydroxy-2-methylpropan-2-yl)carbamoylamino]-1,3-dimethyl-2-oxoimidazolidin-4-yl]urea
CID 40879707
1-[(4S,5S)-1,3-dimethyl-5-[(4-methylphenyl)carbamoylamino]-2-oxoimidazolidin-4-yl]-3-(4-methylphenyl)urea
CID 7446709
1-[(1R,2R)-2-methylcyclopropyl]-3-propylurea
CID 130688362
1-cyclopentyl-3-propylurea
CID 14343339
1-(1-methyl-5-oxopyrrolidin-3-yl)-3-pentylurea
CID 56794755
1-(4,4-dimethylcyclohexyl)-3-propylurea
CID 115660888
1-propyl-3-(3-tricyclo[3.2.1.02,4]octanyl)urea
CID 103793569
1-(2-cyclobutylethyl)-3-propylurea
CID 115686559
1-(2-methylcycloheptyl)-3-propylurea
CID 115660989
1-(4-methylcycloheptyl)-3-propylurea
CID 102795126
1-butyl-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876777

Frequently Asked Questions

What is the IUPAC name of 1-[1,3-dimethyl-2-oxo-5-(propylcarbamoylamino)imidazolidin-4-yl]-3-propylurea?
The IUPAC name of 1-[1,3-dimethyl-2-oxo-5-(propylcarbamoylamino)imidazolidin-4-yl]-3-propylurea (CID 656368) is 1-[1,3-dimethyl-2-oxo-5-(propylcarbamoylamino)imidazolidin-4-yl]-3-propylurea.
What is the SMILES notation for 1-[1,3-dimethyl-2-oxo-5-(propylcarbamoylamino)imidazolidin-4-yl]-3-propylurea?
The canonical SMILES for 1-[1,3-dimethyl-2-oxo-5-(propylcarbamoylamino)imidazolidin-4-yl]-3-propylurea is CCCNC(=O)NC1C(NC(=O)NCCC)N(C)C(=O)N1C.
What is the InChIKey of 1-[1,3-dimethyl-2-oxo-5-(propylcarbamoylamino)imidazolidin-4-yl]-3-propylurea?
The InChIKey is BJIJZMUZMSFHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6O3/c1-5-7-14-11(20)16-9-10(17-12(21)15-8-6-2)19(4)13(22)18(9)3/h9-10H,5-8H2,1-4H3,(H2,14,16,20)(H2,15,17,21).
What are the key properties of 1-[1,3-dimethyl-2-oxo-5-(propylcarbamoylamino)imidazolidin-4-yl]-3-propylurea?
1-[1,3-dimethyl-2-oxo-5-(propylcarbamoylamino)imidazolidin-4-yl]-3-propylurea has a molecular weight of 314.39 g/mol, XLogP of 0.05, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-dimethyl-2-oxo-5-(propylcarbamoylamino)imidazolidin-4-yl]-3-propylurea is sourced from PubChem (CID 656368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).