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

C29H32Cl2N4O2 — CID 66979024

IUPAC[4,5-bis(4-chlorophenyl)-2-(2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone
SMILESCC(C)Oc1ccccc1C1(C(=O)N2CCNCC2)NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1
InChIInChI=1S/C29H32Cl2N4O2/c1-19(2)37-25-6-4-3-5-24(25)29(28(36)35-17-15-32-16-18-35)33-26(20-7-11-22(30)12-8-20)27(34-29)21-9-13-23(31)14-10-21/h3-14,19,26-27,32-34H,15-18H2,1-2H3
InChIKeyCIMSPCQHLHNQSQ-UHFFFAOYSA-N
MW539.51 g/mol
LogP5.04
Rot. Bonds6

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

[4,5-bis(4-chlorophenyl)-2-(2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone (PubChem CID 66979024) has the molecular formula C29H32Cl2N4O2 and a molecular weight of 539.51 g/mol. Its IUPAC name is [4,5-bis(4-chlorophenyl)-2-(2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4,5-bis(4-chlorophenyl)-2-(2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone
PubChem CID66979024
Molecular FormulaC29H32Cl2N4O2
Molecular Weight539.51 g/mol
Exact Mass538.19
IUPAC Name[4,5-bis(4-chlorophenyl)-2-(2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone
SMILESCC(C)Oc1ccccc1C1(C(=O)N2CCNCC2)NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1
InChIInChI=1S/C29H32Cl2N4O2/c1-19(2)37-25-6-4-3-5-24(25)29(28(36)35-17-15-32-16-18-35)33-26(20-7-11-22(30)12-8-20)27(34-29)21-9-13-23(31)14-10-21/h3-14,19,26-27,32-34H,15-18H2,1-2H3
InChIKeyCIMSPCQHLHNQSQ-UHFFFAOYSA-N
XLogP5.04
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.51
LogP ≤ 55.04
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-(2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [4,5-bis(4-chlorophenyl)-2-(2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone (CID 66979024) is [4,5-bis(4-chlorophenyl)-2-(2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4,5-bis(4-chlorophenyl)-2-(2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [4,5-bis(4-chlorophenyl)-2-(2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone is CC(C)Oc1ccccc1C1(C(=O)N2CCNCC2)NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1.
What is the InChIKey of [4,5-bis(4-chlorophenyl)-2-(2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is CIMSPCQHLHNQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32Cl2N4O2/c1-19(2)37-25-6-4-3-5-24(25)29(28(36)35-17-15-32-16-18-35)33-26(20-7-11-22(30)12-8-20)27(34-29)21-9-13-23(31)14-10-21/h3-14,19,26-27,32-34H,15-18H2,1-2H3.
What are the key properties of [4,5-bis(4-chlorophenyl)-2-(2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone?
[4,5-bis(4-chlorophenyl)-2-(2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 539.51 g/mol, XLogP of 5.04, 6 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-(2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 66979024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).