1-(2-chlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one

C23H28ClN3O3 — CID 10216639

IUPAC1-(2-chlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one
SMILESCOc1ccc(N2CCN(c3ccccc3Cl)C2=O)cc1OCCN1CCCCC1
InChIInChI=1S/C23H28ClN3O3/c1-29-21-10-9-18(17-22(21)30-16-15-25-11-5-2-6-12-25)26-13-14-27(23(26)28)20-8-4-3-7-19(20)24/h3-4,7-10,17H,2,5-6,11-16H2,1H3
InChIKeyVKGSTRZGNQQUDV-UHFFFAOYSA-N
MW429.95 g/mol
LogP4.66
Rot. Bonds7

About 1-(2-chlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one

1-(2-chlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one (PubChem CID 10216639) has the molecular formula C23H28ClN3O3 and a molecular weight of 429.95 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one
PubChem CID10216639
Molecular FormulaC23H28ClN3O3
Molecular Weight429.95 g/mol
Exact Mass429.18
IUPAC Name1-(2-chlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one
SMILESCOc1ccc(N2CCN(c3ccccc3Cl)C2=O)cc1OCCN1CCCCC1
InChIInChI=1S/C23H28ClN3O3/c1-29-21-10-9-18(17-22(21)30-16-15-25-11-5-2-6-12-25)26-13-14-27(23(26)28)20-8-4-3-7-19(20)24/h3-4,7-10,17H,2,5-6,11-16H2,1H3
InChIKeyVKGSTRZGNQQUDV-UHFFFAOYSA-N
XLogP4.66
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.95
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one?
The IUPAC name of 1-(2-chlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one (CID 10216639) is 1-(2-chlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one is COc1ccc(N2CCN(c3ccccc3Cl)C2=O)cc1OCCN1CCCCC1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one?
The InChIKey is VKGSTRZGNQQUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O3/c1-29-21-10-9-18(17-22(21)30-16-15-25-11-5-2-6-12-25)26-13-14-27(23(26)28)20-8-4-3-7-19(20)24/h3-4,7-10,17H,2,5-6,11-16H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one?
1-(2-chlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one has a molecular weight of 429.95 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one is sourced from PubChem (CID 10216639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).