1-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-(3-pyrrolidin-1-ylpropyl)urea

C18H25N5O3 — CID 74241065

IUPAC1-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-(3-pyrrolidin-1-ylpropyl)urea
SMILESCN1CC(=O)N(c2cccc(NC(=O)NCCCN3CCCC3)c2)C1=O
InChIInChI=1S/C18H25N5O3/c1-21-13-16(24)23(18(21)26)15-7-4-6-14(12-15)20-17(25)19-8-5-11-22-9-2-3-10-22/h4,6-7,12H,2-3,5,8-11,13H2,1H3,(H2,19,20,25)
InChIKeyNYSQJJXRJMNOIT-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.69
Rot. Bonds6

About 1-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-(3-pyrrolidin-1-ylpropyl)urea

1-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-(3-pyrrolidin-1-ylpropyl)urea (PubChem CID 74241065) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-(3-pyrrolidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-(3-pyrrolidin-1-ylpropyl)urea
PubChem CID74241065
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name1-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-(3-pyrrolidin-1-ylpropyl)urea
SMILESCN1CC(=O)N(c2cccc(NC(=O)NCCCN3CCCC3)c2)C1=O
InChIInChI=1S/C18H25N5O3/c1-21-13-16(24)23(18(21)26)15-7-4-6-14(12-15)20-17(25)19-8-5-11-22-9-2-3-10-22/h4,6-7,12H,2-3,5,8-11,13H2,1H3,(H2,19,20,25)
InChIKeyNYSQJJXRJMNOIT-UHFFFAOYSA-N
XLogP1.69
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-nitrophenyl)-3-(3-piperidin-1-ylpropyl)urea
CID 24626894
4-[3-[3-(4-cyclohexylpiperazin-1-yl)propylcarbamoylamino]phenyl]-2,6-dimethyl-1H-pyrazine-3,5-dicarboxylic acid
CID 21263966
1-(4-aminophenyl)-3-(3-pyrrolidin-1-ylpropyl)urea
CID 62991029
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-[3-(1,2,4-triazol-4-yl)propyl]urea
CID 118782997
1-[4-(3-methoxyphenyl)phenyl]-3-(3-piperidin-1-ylpropyl)urea
CID 143531596
1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylbutyl)urea
CID 87006985
1-(3-methylbutyl)-3-(3-pyrrolidin-1-ylphenyl)urea
CID 52738068
1-[4-(1-aminoethyl)phenyl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 62993591
1-(3-chloro-4-methylphenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 22430349
methyl 3-(3-piperidin-1-ylpropylcarbamothioylamino)benzoate
CID 100620973
N-[3-[2-methoxy-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide
CID 143531621
1-(4-bromophenyl)-3-(4-piperidin-1-ylbutyl)urea
CID 46831360

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-(3-pyrrolidin-1-ylpropyl)urea?
The IUPAC name of 1-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-(3-pyrrolidin-1-ylpropyl)urea (CID 74241065) is 1-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-(3-pyrrolidin-1-ylpropyl)urea.
What is the SMILES notation for 1-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-(3-pyrrolidin-1-ylpropyl)urea?
The canonical SMILES for 1-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-(3-pyrrolidin-1-ylpropyl)urea is CN1CC(=O)N(c2cccc(NC(=O)NCCCN3CCCC3)c2)C1=O.
What is the InChIKey of 1-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-(3-pyrrolidin-1-ylpropyl)urea?
The InChIKey is NYSQJJXRJMNOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-21-13-16(24)23(18(21)26)15-7-4-6-14(12-15)20-17(25)19-8-5-11-22-9-2-3-10-22/h4,6-7,12H,2-3,5,8-11,13H2,1H3,(H2,19,20,25).
What are the key properties of 1-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-(3-pyrrolidin-1-ylpropyl)urea?
1-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-(3-pyrrolidin-1-ylpropyl)urea has a molecular weight of 359.43 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-(3-pyrrolidin-1-ylpropyl)urea is sourced from PubChem (CID 74241065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).