1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-prop-2-ynylamino]ethyl]imidazolidin-2-one

C24H24ClFN4O2 — CID 10551704

IUPAC1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-prop-2-ynylamino]ethyl]imidazolidin-2-one
SMILESC#CCN(CCOc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12)CCN1CCNC1=O
InChIInChI=1S/C24H24ClFN4O2/c1-2-10-28(12-13-29-11-9-27-24(29)31)14-15-32-23-17-30(20-6-4-19(26)5-7-20)22-8-3-18(25)16-21(22)23/h1,3-8,16-17H,9-15H2,(H,27,31)
InChIKeyYCMFJAQXRKBWMW-UHFFFAOYSA-N
MW454.93 g/mol
LogP3.76
Rot. Bonds9

About 1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-prop-2-ynylamino]ethyl]imidazolidin-2-one

1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-prop-2-ynylamino]ethyl]imidazolidin-2-one (PubChem CID 10551704) has the molecular formula C24H24ClFN4O2 and a molecular weight of 454.93 g/mol. Its IUPAC name is 1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-prop-2-ynylamino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-prop-2-ynylamino]ethyl]imidazolidin-2-one
PubChem CID10551704
Molecular FormulaC24H24ClFN4O2
Molecular Weight454.93 g/mol
Exact Mass454.16
IUPAC Name1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-prop-2-ynylamino]ethyl]imidazolidin-2-one
SMILESC#CCN(CCOc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12)CCN1CCNC1=O
InChIInChI=1S/C24H24ClFN4O2/c1-2-10-28(12-13-29-11-9-27-24(29)31)14-15-32-23-17-30(20-6-4-19(26)5-7-20)22-8-3-18(25)16-21(22)23/h1,3-8,16-17H,9-15H2,(H,27,31)
InChIKeyYCMFJAQXRKBWMW-UHFFFAOYSA-N
XLogP3.76
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.93
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-prop-2-ynylamino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-prop-2-ynylamino]ethyl]imidazolidin-2-one (CID 10551704) is 1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-prop-2-ynylamino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-prop-2-ynylamino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-prop-2-ynylamino]ethyl]imidazolidin-2-one is C#CCN(CCOc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12)CCN1CCNC1=O.
What is the InChIKey of 1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-prop-2-ynylamino]ethyl]imidazolidin-2-one?
The InChIKey is YCMFJAQXRKBWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4O2/c1-2-10-28(12-13-29-11-9-27-24(29)31)14-15-32-23-17-30(20-6-4-19(26)5-7-20)22-8-3-18(25)16-21(22)23/h1,3-8,16-17H,9-15H2,(H,27,31).
What are the key properties of 1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-prop-2-ynylamino]ethyl]imidazolidin-2-one?
1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-prop-2-ynylamino]ethyl]imidazolidin-2-one has a molecular weight of 454.93 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[5-chloro-1-(4-fluorophenyl)indol-3-yl]oxyethyl-prop-2-ynylamino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 10551704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).