[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone

C29H32Cl2N4O3 — CID 66978990

IUPAC[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone
SMILESCCOc1cc(OC)ccc1C1(C(=O)N2CCNCC2)NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1
InChIInChI=1S/C29H32Cl2N4O3/c1-3-38-25-18-23(37-2)12-13-24(25)29(28(36)35-16-14-32-15-17-35)33-26(19-4-8-21(30)9-5-19)27(34-29)20-6-10-22(31)11-7-20/h4-13,18,26-27,32-34H,3,14-17H2,1-2H3
InChIKeyAOWISCBIMVVULG-UHFFFAOYSA-N
MW555.51 g/mol
LogP4.66
Rot. Bonds7

About [4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone

[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone (PubChem CID 66978990) has the molecular formula C29H32Cl2N4O3 and a molecular weight of 555.51 g/mol. Its IUPAC name is [4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone
PubChem CID66978990
Molecular FormulaC29H32Cl2N4O3
Molecular Weight555.51 g/mol
Exact Mass554.19
IUPAC Name[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone
SMILESCCOc1cc(OC)ccc1C1(C(=O)N2CCNCC2)NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1
InChIInChI=1S/C29H32Cl2N4O3/c1-3-38-25-18-23(37-2)12-13-24(25)29(28(36)35-16-14-32-15-17-35)33-26(19-4-8-21(30)9-5-19)27(34-29)20-6-10-22(31)11-7-20/h4-13,18,26-27,32-34H,3,14-17H2,1-2H3
InChIKeyAOWISCBIMVVULG-UHFFFAOYSA-N
XLogP4.66
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.51
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone (CID 66978990) is [4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone is CCOc1cc(OC)ccc1C1(C(=O)N2CCNCC2)NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1.
What is the InChIKey of [4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is AOWISCBIMVVULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32Cl2N4O3/c1-3-38-25-18-23(37-2)12-13-24(25)29(28(36)35-16-14-32-15-17-35)33-26(19-4-8-21(30)9-5-19)27(34-29)20-6-10-22(31)11-7-20/h4-13,18,26-27,32-34H,3,14-17H2,1-2H3.
What are the key properties of [4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone?
[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 555.51 g/mol, XLogP of 4.66, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 66978990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).