1-(3-chlorophenyl)-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea

C12H13ClN4O3 — CID 110748119

IUPAC1-(3-chlorophenyl)-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea
SMILESO=C(NCCC1NC(=O)NC1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H13ClN4O3/c13-7-2-1-3-8(6-7)15-11(19)14-5-4-9-10(18)17-12(20)16-9/h1-3,6,9H,4-5H2,(H2,14,15,19)(H2,16,17,18,20)
InChIKeyKJRNWIKSIWUDIM-UHFFFAOYSA-N
MW296.71 g/mol
LogP1.06
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea

1-(3-chlorophenyl)-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea (PubChem CID 110748119) has the molecular formula C12H13ClN4O3 and a molecular weight of 296.71 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea
PubChem CID110748119
Molecular FormulaC12H13ClN4O3
Molecular Weight296.71 g/mol
Exact Mass296.07
IUPAC Name1-(3-chlorophenyl)-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea
SMILESO=C(NCCC1NC(=O)NC1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C12H13ClN4O3/c13-7-2-1-3-8(6-7)15-11(19)14-5-4-9-10(18)17-12(20)16-9/h1-3,6,9H,4-5H2,(H2,14,15,19)(H2,16,17,18,20)
InChIKeyKJRNWIKSIWUDIM-UHFFFAOYSA-N
XLogP1.06
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-phenylurea
CID 110748117
1-(3-chlorophenyl)-3-[2-(oxan-3-yl)ethyl]urea
CID 118782410
1-(3-chlorophenyl)-3-undecylurea
CID 4294975
N-(3-bromophenyl)-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 25465837
6-[(3-chlorophenyl)carbamoylamino]hexanoic acid
CID 13414912
1-(2-azidoethyl)-3-(3-chlorophenyl)urea
CID 61342512
1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea
CID 38887276
methyl 3-[(3-chlorophenyl)carbamoylamino]propanoate
CID 3440134
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
1-(3-chlorophenyl)-3-[2-(2-chlorophenyl)ethyl]urea
CID 47455296
1-(3-chlorophenyl)-3-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]urea
CID 126413305
N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-2,6-dimethoxybenzamide
CID 110722124

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea (CID 110748119) is 1-(3-chlorophenyl)-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea is O=C(NCCC1NC(=O)NC1=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea?
The InChIKey is KJRNWIKSIWUDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O3/c13-7-2-1-3-8(6-7)15-11(19)14-5-4-9-10(18)17-12(20)16-9/h1-3,6,9H,4-5H2,(H2,14,15,19)(H2,16,17,18,20).
What are the key properties of 1-(3-chlorophenyl)-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea?
1-(3-chlorophenyl)-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea has a molecular weight of 296.71 g/mol, XLogP of 1.06, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]urea is sourced from PubChem (CID 110748119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).