[4,5-bis(4-bromophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-morpholin-4-ylmethanone

C30H33Br2N3O4 — CID 66978949

IUPAC[4,5-bis(4-bromophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(C2(C(=O)N3CCOCC3)NC(c3ccc(Br)cc3)C(c3ccc(Br)cc3)N2)c(OC(C)C)c1
InChIInChI=1S/C30H33Br2N3O4/c1-19(2)39-26-18-24(37-3)12-13-25(26)30(29(36)35-14-16-38-17-15-35)33-27(20-4-8-22(31)9-5-20)28(34-30)21-6-10-23(32)11-7-21/h4-13,18-19,27-28,33-34H,14-17H2,1-3H3
InChIKeyIDRFWLZAPZCEIX-UHFFFAOYSA-N
MW659.42 g/mol
LogP5.69
Rot. Bonds7

About [4,5-bis(4-bromophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-morpholin-4-ylmethanone

[4,5-bis(4-bromophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 66978949) has the molecular formula C30H33Br2N3O4 and a molecular weight of 659.42 g/mol. Its IUPAC name is [4,5-bis(4-bromophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4,5-bis(4-bromophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID66978949
Molecular FormulaC30H33Br2N3O4
Molecular Weight659.42 g/mol
Exact Mass657.08
IUPAC Name[4,5-bis(4-bromophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(C2(C(=O)N3CCOCC3)NC(c3ccc(Br)cc3)C(c3ccc(Br)cc3)N2)c(OC(C)C)c1
InChIInChI=1S/C30H33Br2N3O4/c1-19(2)39-26-18-24(37-3)12-13-25(26)30(29(36)35-14-16-38-17-15-35)33-27(20-4-8-22(31)9-5-20)28(34-30)21-6-10-23(32)11-7-21/h4-13,18-19,27-28,33-34H,14-17H2,1-3H3
InChIKeyIDRFWLZAPZCEIX-UHFFFAOYSA-N
XLogP5.69
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.42
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4,5-bis(4-bromophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4,5-bis(4-bromophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-morpholin-4-ylmethanone (CID 66978949) is [4,5-bis(4-bromophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4,5-bis(4-bromophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4,5-bis(4-bromophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-morpholin-4-ylmethanone is COc1ccc(C2(C(=O)N3CCOCC3)NC(c3ccc(Br)cc3)C(c3ccc(Br)cc3)N2)c(OC(C)C)c1.
What is the InChIKey of [4,5-bis(4-bromophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is IDRFWLZAPZCEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33Br2N3O4/c1-19(2)39-26-18-24(37-3)12-13-25(26)30(29(36)35-14-16-38-17-15-35)33-27(20-4-8-22(31)9-5-20)28(34-30)21-6-10-23(32)11-7-21/h4-13,18-19,27-28,33-34H,14-17H2,1-3H3.
What are the key properties of [4,5-bis(4-bromophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-morpholin-4-ylmethanone?
[4,5-bis(4-bromophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 659.42 g/mol, XLogP of 5.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-bis(4-bromophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)imidazolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 66978949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).