1-[4-[4,5-bis(4-bromophenyl)-2-(2,4-dimethoxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]ethanone

C30H32Br2N4O4 — CID 123774324

IUPAC1-[4-[4,5-bis(4-bromophenyl)-2-(2,4-dimethoxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(C2(C(=O)N3CCN(C(C)=O)CC3)NC(c3ccc(Br)cc3)C(c3ccc(Br)cc3)N2)c(OC)c1
InChIInChI=1S/C30H32Br2N4O4/c1-19(37)35-14-16-36(17-15-35)29(38)30(25-13-12-24(39-2)18-26(25)40-3)33-27(20-4-8-22(31)9-5-20)28(34-30)21-6-10-23(32)11-7-21/h4-13,18,27-28,33-34H,14-17H2,1-3H3
InChIKeyDOGRMQDJLQPMFR-UHFFFAOYSA-N
MW672.42 g/mol
LogP4.75
Rot. Bonds6

About 1-[4-[4,5-bis(4-bromophenyl)-2-(2,4-dimethoxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]ethanone

1-[4-[4,5-bis(4-bromophenyl)-2-(2,4-dimethoxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]ethanone (PubChem CID 123774324) has the molecular formula C30H32Br2N4O4 and a molecular weight of 672.42 g/mol. Its IUPAC name is 1-[4-[4,5-bis(4-bromophenyl)-2-(2,4-dimethoxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4,5-bis(4-bromophenyl)-2-(2,4-dimethoxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]ethanone
PubChem CID123774324
Molecular FormulaC30H32Br2N4O4
Molecular Weight672.42 g/mol
Exact Mass670.08
IUPAC Name1-[4-[4,5-bis(4-bromophenyl)-2-(2,4-dimethoxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(C2(C(=O)N3CCN(C(C)=O)CC3)NC(c3ccc(Br)cc3)C(c3ccc(Br)cc3)N2)c(OC)c1
InChIInChI=1S/C30H32Br2N4O4/c1-19(37)35-14-16-36(17-15-35)29(38)30(25-13-12-24(39-2)18-26(25)40-3)33-27(20-4-8-22(31)9-5-20)28(34-30)21-6-10-23(32)11-7-21/h4-13,18,27-28,33-34H,14-17H2,1-3H3
InChIKeyDOGRMQDJLQPMFR-UHFFFAOYSA-N
XLogP4.75
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500672.42
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4,5-bis(4-bromophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-morpholin-4-ylmethanone
CID 66978949
1-[4-[4,5-bis(4-bromophenyl)-2-(2-propan-2-yloxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]ethanone
CID 66978982
[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 90427409
1-[4-[4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 66978934
[4,5-bis(4-chlorophenyl)-2-(2-ethoxy-4-methoxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone
CID 66978990
1-[4-(4-bromo-2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 78988680
[4,5-bis(4-chlorophenyl)-2-(4-ethyl-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone
CID 66978963
(4-bromophenyl) 2,4-dimethoxybenzoate
CID 47098117
1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone
CID 78821506
[4,5-bis(4-chlorophenyl)-2-(2-propan-2-yloxyphenyl)imidazolidin-2-yl]-piperazin-1-ylmethanone
CID 66979024
(2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 789243
[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119300875

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4,5-bis(4-bromophenyl)-2-(2,4-dimethoxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4,5-bis(4-bromophenyl)-2-(2,4-dimethoxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]ethanone (CID 123774324) is 1-[4-[4,5-bis(4-bromophenyl)-2-(2,4-dimethoxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4,5-bis(4-bromophenyl)-2-(2,4-dimethoxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4,5-bis(4-bromophenyl)-2-(2,4-dimethoxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]ethanone is COc1ccc(C2(C(=O)N3CCN(C(C)=O)CC3)NC(c3ccc(Br)cc3)C(c3ccc(Br)cc3)N2)c(OC)c1.
What is the InChIKey of 1-[4-[4,5-bis(4-bromophenyl)-2-(2,4-dimethoxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is DOGRMQDJLQPMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32Br2N4O4/c1-19(37)35-14-16-36(17-15-35)29(38)30(25-13-12-24(39-2)18-26(25)40-3)33-27(20-4-8-22(31)9-5-20)28(34-30)21-6-10-23(32)11-7-21/h4-13,18,27-28,33-34H,14-17H2,1-3H3.
What are the key properties of 1-[4-[4,5-bis(4-bromophenyl)-2-(2,4-dimethoxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]ethanone?
1-[4-[4,5-bis(4-bromophenyl)-2-(2,4-dimethoxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 672.42 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4,5-bis(4-bromophenyl)-2-(2,4-dimethoxyphenyl)imidazolidine-2-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 123774324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).