[4,5-bis(4-chlorophenyl)-2-(4-ethyl-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone

C31H36Cl2N4O2 — CID 66978963

IUPAC[4,5-bis(4-chlorophenyl)-2-(4-ethyl-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone
SMILESCCc1ccc(C2(C(=O)N3CCNCC3)NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2)c(OC(C)C)c1
InChIInChI=1S/C31H36Cl2N4O2/c1-4-21-5-14-26(27(19-21)39-20(2)3)31(30(38)37-17-15-34-16-18-37)35-28(22-6-10-24(32)11-7-22)29(36-31)23-8-12-25(33)13-9-23/h5-14,19-20,28-29,34-36H,4,15-18H2,1-3H3
InChIKeyKXHAYAXILIGGKJ-UHFFFAOYSA-N
MW567.56 g/mol
LogP5.60
Rot. Bonds7

About [4,5-bis(4-chlorophenyl)-2-(4-ethyl-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone

[4,5-bis(4-chlorophenyl)-2-(4-ethyl-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone (PubChem CID 66978963) has the molecular formula C31H36Cl2N4O2 and a molecular weight of 567.56 g/mol. Its IUPAC name is [4,5-bis(4-chlorophenyl)-2-(4-ethyl-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4,5-bis(4-chlorophenyl)-2-(4-ethyl-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone
PubChem CID66978963
Molecular FormulaC31H36Cl2N4O2
Molecular Weight567.56 g/mol
Exact Mass566.22
IUPAC Name[4,5-bis(4-chlorophenyl)-2-(4-ethyl-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone
SMILESCCc1ccc(C2(C(=O)N3CCNCC3)NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2)c(OC(C)C)c1
InChIInChI=1S/C31H36Cl2N4O2/c1-4-21-5-14-26(27(19-21)39-20(2)3)31(30(38)37-17-15-34-16-18-37)35-28(22-6-10-24(32)11-7-22)29(36-31)23-8-12-25(33)13-9-23/h5-14,19-20,28-29,34-36H,4,15-18H2,1-3H3
InChIKeyKXHAYAXILIGGKJ-UHFFFAOYSA-N
XLogP5.60
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.56
LogP ≤ 55.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4,5-bis(4-chlorophenyl)-2-(4-ethyl-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [4,5-bis(4-chlorophenyl)-2-(4-ethyl-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone (CID 66978963) is [4,5-bis(4-chlorophenyl)-2-(4-ethyl-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4,5-bis(4-chlorophenyl)-2-(4-ethyl-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [4,5-bis(4-chlorophenyl)-2-(4-ethyl-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone is CCc1ccc(C2(C(=O)N3CCNCC3)NC(c3ccc(Cl)cc3)C(c3ccc(Cl)cc3)N2)c(OC(C)C)c1.
What is the InChIKey of [4,5-bis(4-chlorophenyl)-2-(4-ethyl-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is KXHAYAXILIGGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36Cl2N4O2/c1-4-21-5-14-26(27(19-21)39-20(2)3)31(30(38)37-17-15-34-16-18-37)35-28(22-6-10-24(32)11-7-22)29(36-31)23-8-12-25(33)13-9-23/h5-14,19-20,28-29,34-36H,4,15-18H2,1-3H3.
What are the key properties of [4,5-bis(4-chlorophenyl)-2-(4-ethyl-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone?
[4,5-bis(4-chlorophenyl)-2-(4-ethyl-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 567.56 g/mol, XLogP of 5.60, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-bis(4-chlorophenyl)-2-(4-ethyl-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 66978963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).