3-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(1-piperazin-1-ylethyl)imidazolidin-2-one

C23H34N4O3 — CID 67660803

IUPAC3-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(1-piperazin-1-ylethyl)imidazolidin-2-one
SMILESCC(N1CCNCC1)N1CC(c2cccc3c2OCCO3)N(C2CCCCC2)C1=O
InChIInChI=1S/C23H34N4O3/c1-17(25-12-10-24-11-13-25)26-16-20(27(23(26)28)18-6-3-2-4-7-18)19-8-5-9-21-22(19)30-15-14-29-21/h5,8-9,17-18,20,24H,2-4,6-7,10-16H2,1H3
InChIKeyQWNZDGXPAKXQRX-UHFFFAOYSA-N
MW414.55 g/mol
LogP2.82
Rot. Bonds4

About 3-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(1-piperazin-1-ylethyl)imidazolidin-2-one

3-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(1-piperazin-1-ylethyl)imidazolidin-2-one (PubChem CID 67660803) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is 3-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(1-piperazin-1-ylethyl)imidazolidin-2-one.

Molecular Properties

Compound Name3-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(1-piperazin-1-ylethyl)imidazolidin-2-one
PubChem CID67660803
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC Name3-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(1-piperazin-1-ylethyl)imidazolidin-2-one
SMILESCC(N1CCNCC1)N1CC(c2cccc3c2OCCO3)N(C2CCCCC2)C1=O
InChIInChI=1S/C23H34N4O3/c1-17(25-12-10-24-11-13-25)26-16-20(27(23(26)28)18-6-3-2-4-7-18)19-8-5-9-21-22(19)30-15-14-29-21/h5,8-9,17-18,20,24H,2-4,6-7,10-16H2,1H3
InChIKeyQWNZDGXPAKXQRX-UHFFFAOYSA-N
XLogP2.82
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(1-piperazin-1-ylethyl)imidazolidin-2-one?
The IUPAC name of 3-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(1-piperazin-1-ylethyl)imidazolidin-2-one (CID 67660803) is 3-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(1-piperazin-1-ylethyl)imidazolidin-2-one.
What is the SMILES notation for 3-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(1-piperazin-1-ylethyl)imidazolidin-2-one?
The canonical SMILES for 3-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(1-piperazin-1-ylethyl)imidazolidin-2-one is CC(N1CCNCC1)N1CC(c2cccc3c2OCCO3)N(C2CCCCC2)C1=O.
What is the InChIKey of 3-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(1-piperazin-1-ylethyl)imidazolidin-2-one?
The InChIKey is QWNZDGXPAKXQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-17(25-12-10-24-11-13-25)26-16-20(27(23(26)28)18-6-3-2-4-7-18)19-8-5-9-21-22(19)30-15-14-29-21/h5,8-9,17-18,20,24H,2-4,6-7,10-16H2,1H3.
What are the key properties of 3-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(1-piperazin-1-ylethyl)imidazolidin-2-one?
3-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(1-piperazin-1-ylethyl)imidazolidin-2-one has a molecular weight of 414.55 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(1-piperazin-1-ylethyl)imidazolidin-2-one is sourced from PubChem (CID 67660803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).