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

C14H18BrN5O3 — CID 122684826

IUPAC1-[4-(2-aminoethyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-3-(4-bromophenyl)urea
SMILESCCC1(CCN)NC(=O)N(NC(=O)Nc2ccc(Br)cc2)C1=O
InChIInChI=1S/C14H18BrN5O3/c1-2-14(7-8-16)11(21)20(13(23)18-14)19-12(22)17-10-5-3-9(15)4-6-10/h3-6H,2,7-8,16H2,1H3,(H,18,23)(H2,17,19,22)
InChIKeyQGEWYYKHCDACSL-UHFFFAOYSA-N
MW384.23 g/mol
LogP1.53
Rot. Bonds5

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

1-[4-(2-aminoethyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-3-(4-bromophenyl)urea (PubChem CID 122684826) has the molecular formula C14H18BrN5O3 and a molecular weight of 384.23 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-3-(4-bromophenyl)urea.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-3-(4-bromophenyl)urea
PubChem CID122684826
Molecular FormulaC14H18BrN5O3
Molecular Weight384.23 g/mol
Exact Mass383.06
IUPAC Name1-[4-(2-aminoethyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-3-(4-bromophenyl)urea
SMILESCCC1(CCN)NC(=O)N(NC(=O)Nc2ccc(Br)cc2)C1=O
InChIInChI=1S/C14H18BrN5O3/c1-2-14(7-8-16)11(21)20(13(23)18-14)19-12(22)17-10-5-3-9(15)4-6-10/h3-6H,2,7-8,16H2,1H3,(H,18,23)(H2,17,19,22)
InChIKeyQGEWYYKHCDACSL-UHFFFAOYSA-N
XLogP1.53
TPSA116.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.23
LogP ≤ 51.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-3-(4-bromophenyl)urea?
The IUPAC name of 1-[4-(2-aminoethyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-3-(4-bromophenyl)urea (CID 122684826) is 1-[4-(2-aminoethyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-3-(4-bromophenyl)urea.
What is the SMILES notation for 1-[4-(2-aminoethyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-3-(4-bromophenyl)urea?
The canonical SMILES for 1-[4-(2-aminoethyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-3-(4-bromophenyl)urea is CCC1(CCN)NC(=O)N(NC(=O)Nc2ccc(Br)cc2)C1=O.
What is the InChIKey of 1-[4-(2-aminoethyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-3-(4-bromophenyl)urea?
The InChIKey is QGEWYYKHCDACSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5O3/c1-2-14(7-8-16)11(21)20(13(23)18-14)19-12(22)17-10-5-3-9(15)4-6-10/h3-6H,2,7-8,16H2,1H3,(H,18,23)(H2,17,19,22).
What are the key properties of 1-[4-(2-aminoethyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-3-(4-bromophenyl)urea?
1-[4-(2-aminoethyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-3-(4-bromophenyl)urea has a molecular weight of 384.23 g/mol, XLogP of 1.53, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-3-(4-bromophenyl)urea is sourced from PubChem (CID 122684826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).