5-(3-chlorophenyl)-3-(cyclopropylmethyl)-5-heptylimidazolidine-2,4-dione

C20H27ClN2O2 — CID 70695193

IUPAC5-(3-chlorophenyl)-3-(cyclopropylmethyl)-5-heptylimidazolidine-2,4-dione
SMILESCCCCCCCC1(c2cccc(Cl)c2)NC(=O)N(CC2CC2)C1=O
InChIInChI=1S/C20H27ClN2O2/c1-2-3-4-5-6-12-20(16-8-7-9-17(21)13-16)18(24)23(19(25)22-20)14-15-10-11-15/h7-9,13,15H,2-6,10-12,14H2,1H3,(H,22,25)
InChIKeyOUEXHZLFDUSBFN-UHFFFAOYSA-N
MW362.90 g/mol
LogP4.86
Rot. Bonds9

About 5-(3-chlorophenyl)-3-(cyclopropylmethyl)-5-heptylimidazolidine-2,4-dione

5-(3-chlorophenyl)-3-(cyclopropylmethyl)-5-heptylimidazolidine-2,4-dione (PubChem CID 70695193) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3-(cyclopropylmethyl)-5-heptylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3-(cyclopropylmethyl)-5-heptylimidazolidine-2,4-dione
PubChem CID70695193
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name5-(3-chlorophenyl)-3-(cyclopropylmethyl)-5-heptylimidazolidine-2,4-dione
SMILESCCCCCCCC1(c2cccc(Cl)c2)NC(=O)N(CC2CC2)C1=O
InChIInChI=1S/C20H27ClN2O2/c1-2-3-4-5-6-12-20(16-8-7-9-17(21)13-16)18(24)23(19(25)22-20)14-15-10-11-15/h7-9,13,15H,2-6,10-12,14H2,1H3,(H,22,25)
InChIKeyOUEXHZLFDUSBFN-UHFFFAOYSA-N
XLogP4.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3-(cyclopropylmethyl)-5-heptylimidazolidine-2,4-dione?
The IUPAC name of 5-(3-chlorophenyl)-3-(cyclopropylmethyl)-5-heptylimidazolidine-2,4-dione (CID 70695193) is 5-(3-chlorophenyl)-3-(cyclopropylmethyl)-5-heptylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(3-chlorophenyl)-3-(cyclopropylmethyl)-5-heptylimidazolidine-2,4-dione?
The canonical SMILES for 5-(3-chlorophenyl)-3-(cyclopropylmethyl)-5-heptylimidazolidine-2,4-dione is CCCCCCCC1(c2cccc(Cl)c2)NC(=O)N(CC2CC2)C1=O.
What is the InChIKey of 5-(3-chlorophenyl)-3-(cyclopropylmethyl)-5-heptylimidazolidine-2,4-dione?
The InChIKey is OUEXHZLFDUSBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O2/c1-2-3-4-5-6-12-20(16-8-7-9-17(21)13-16)18(24)23(19(25)22-20)14-15-10-11-15/h7-9,13,15H,2-6,10-12,14H2,1H3,(H,22,25).
What are the key properties of 5-(3-chlorophenyl)-3-(cyclopropylmethyl)-5-heptylimidazolidine-2,4-dione?
5-(3-chlorophenyl)-3-(cyclopropylmethyl)-5-heptylimidazolidine-2,4-dione has a molecular weight of 362.90 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-3-(cyclopropylmethyl)-5-heptylimidazolidine-2,4-dione is sourced from PubChem (CID 70695193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).