1-[2-[(1R,10S)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one

C24H28ClN3O — CID 45267480

IUPAC1-[2-[(1R,10S)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one
SMILESO=C1N(CCN2C[C@@H]3CC[C@H]2Cc2ccccc2C3)CCN1c1cccc(Cl)c1
InChIInChI=1S/C24H28ClN3O/c25-21-6-3-7-23(16-21)28-13-12-26(24(28)29)10-11-27-17-18-8-9-22(27)15-20-5-2-1-4-19(20)14-18/h1-7,16,18,22H,8-15,17H2/t18-,22+/m1/s1
InChIKeyIMFBORACXDJQCD-GCJKJVERSA-N
MW409.96 g/mol
LogP4.46
Rot. Bonds4

About 1-[2-[(1R,10S)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one

1-[2-[(1R,10S)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one (PubChem CID 45267480) has the molecular formula C24H28ClN3O and a molecular weight of 409.96 g/mol. Its IUPAC name is 1-[2-[(1R,10S)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(1R,10S)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one
PubChem CID45267480
Molecular FormulaC24H28ClN3O
Molecular Weight409.96 g/mol
Exact Mass409.19
IUPAC Name1-[2-[(1R,10S)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one
SMILESO=C1N(CCN2C[C@@H]3CC[C@H]2Cc2ccccc2C3)CCN1c1cccc(Cl)c1
InChIInChI=1S/C24H28ClN3O/c25-21-6-3-7-23(16-21)28-13-12-26(24(28)29)10-11-27-17-18-8-9-22(27)15-20-5-2-1-4-19(20)14-18/h1-7,16,18,22H,8-15,17H2/t18-,22+/m1/s1
InChIKeyIMFBORACXDJQCD-GCJKJVERSA-N
XLogP4.46
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.96
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-[(1R,10S)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one with MolForge

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Related Compounds

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1-(3-Chlorophenyl)-3-[2-[4-(4-chlorophenyl)piperidin-1-yl]ethyl]imidazolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,10S)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one?
The IUPAC name of 1-[2-[(1R,10S)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one (CID 45267480) is 1-[2-[(1R,10S)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(1R,10S)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one?
The canonical SMILES for 1-[2-[(1R,10S)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one is O=C1N(CCN2C[C@@H]3CC[C@H]2Cc2ccccc2C3)CCN1c1cccc(Cl)c1.
What is the InChIKey of 1-[2-[(1R,10S)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one?
The InChIKey is IMFBORACXDJQCD-GCJKJVERSA-N. The full InChI is InChI=1S/C24H28ClN3O/c25-21-6-3-7-23(16-21)28-13-12-26(24(28)29)10-11-27-17-18-8-9-22(27)15-20-5-2-1-4-19(20)14-18/h1-7,16,18,22H,8-15,17H2/t18-,22+/m1/s1.
What are the key properties of 1-[2-[(1R,10S)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one?
1-[2-[(1R,10S)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one has a molecular weight of 409.96 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R,10S)-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-trien-11-yl]ethyl]-3-(3-chlorophenyl)imidazolidin-2-one is sourced from PubChem (CID 45267480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).