(5Z)-2-(2-bromophenyl)-3-[6-[(4E)-2-(2-bromophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-oxoimidazol-1-yl]hexyl]-5-[(3,4-dimethoxyphenyl)methylidene]imidazol-4-one

C42H40Br2N4O6 — CID 6223613

IUPAC(5Z)-2-(2-bromophenyl)-3-[6-[(4E)-2-(2-bromophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-oxoimidazol-1-yl]hexyl]-5-[(3,4-dimethoxyphenyl)methylidene]imidazol-4-one
SMILESCOc1ccc(/C=C2\N=C(c3ccccc3Br)N(CCCCCCN3C(=O)/C(=C\c4ccc(OC)c(OC)c4)N=C3c3ccccc3Br)C2=O)cc1OC
InChIInChI=1S/C42H40Br2N4O6/c1-51-35-19-17-27(25-37(35)53-3)23-33-41(49)47(39(45-33)29-13-7-9-15-31(29)43)21-11-5-6-12-22-48-40(30-14-8-10-16-32(30)44)46-34(42(48)50)24-28-18-20-36(52-2)38(26-28)54-4/h7-10,13-20,23-26H,5-6,11-12,21-22H2,1-4H3/b33-23-,34-24+
InChIKeyPHLOJXGHUPSOBL-HUMGCQOQSA-N
MW856.61 g/mol
LogP8.77
Rot. Bonds15

About (5Z)-2-(2-bromophenyl)-3-[6-[(4E)-2-(2-bromophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-oxoimidazol-1-yl]hexyl]-5-[(3,4-dimethoxyphenyl)methylidene]imidazol-4-one

(5Z)-2-(2-bromophenyl)-3-[6-[(4E)-2-(2-bromophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-oxoimidazol-1-yl]hexyl]-5-[(3,4-dimethoxyphenyl)methylidene]imidazol-4-one (PubChem CID 6223613) has the molecular formula C42H40Br2N4O6 and a molecular weight of 856.61 g/mol. Its IUPAC name is (5Z)-2-(2-bromophenyl)-3-[6-[(4E)-2-(2-bromophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-oxoimidazol-1-yl]hexyl]-5-[(3,4-dimethoxyphenyl)methylidene]imidazol-4-one.

Molecular Properties

Compound Name(5Z)-2-(2-bromophenyl)-3-[6-[(4E)-2-(2-bromophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-oxoimidazol-1-yl]hexyl]-5-[(3,4-dimethoxyphenyl)methylidene]imidazol-4-one
PubChem CID6223613
Molecular FormulaC42H40Br2N4O6
Molecular Weight856.61 g/mol
Exact Mass854.13
IUPAC Name(5Z)-2-(2-bromophenyl)-3-[6-[(4E)-2-(2-bromophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-oxoimidazol-1-yl]hexyl]-5-[(3,4-dimethoxyphenyl)methylidene]imidazol-4-one
SMILESCOc1ccc(/C=C2\N=C(c3ccccc3Br)N(CCCCCCN3C(=O)/C(=C\c4ccc(OC)c(OC)c4)N=C3c3ccccc3Br)C2=O)cc1OC
InChIInChI=1S/C42H40Br2N4O6/c1-51-35-19-17-27(25-37(35)53-3)23-33-41(49)47(39(45-33)29-13-7-9-15-31(29)43)21-11-5-6-12-22-48-40(30-14-8-10-16-32(30)44)46-34(42(48)50)24-28-18-20-36(52-2)38(26-28)54-4/h7-10,13-20,23-26H,5-6,11-12,21-22H2,1-4H3/b33-23-,34-24+
InChIKeyPHLOJXGHUPSOBL-HUMGCQOQSA-N
XLogP8.77
TPSA102.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.61
LogP ≤ 58.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-2-(2-bromophenyl)-3-[6-[(4E)-2-(2-bromophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-oxoimidazol-1-yl]hexyl]-5-[(3,4-dimethoxyphenyl)methylidene]imidazol-4-one with MolForge

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Related Compounds

(5Z)-2-(2-bromophenyl)-3-[6-[(4E)-2-(2-bromophenyl)-4-[(4-methoxyphenyl)methylidene]-5-oxoimidazol-1-yl]hexyl]-5-[(4-methoxyphenyl)methylidene]imidazol-4-one
CID 6223611
2-(2-bromophenyl)-3-[6-[2-(2-bromophenyl)-4-[(4-methoxyphenyl)methylidene]-5-oxoimidazol-1-yl]hexyl]-5-[(4-methoxyphenyl)methylidene]imidazol-4-one
CID 4874714
2-(2-methoxyphenyl)-3-[6-[2-(2-methoxyphenyl)-4-[(4-methoxyphenyl)methylidene]-5-oxoimidazol-1-yl]hexyl]-5-[(4-methoxyphenyl)methylidene]imidazol-4-one
CID 4874701
(5Z)-2-(4-tert-butylphenyl)-3-[6-[(4E)-2-(4-tert-butylphenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-oxoimidazol-1-yl]hexyl]-5-[(3,4-dimethoxyphenyl)methylidene]imidazol-4-one
CID 17038724
(5Z)-2-(4-butoxyphenyl)-3-[2-[(4E)-2-(4-butoxyphenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-oxoimidazol-1-yl]ethyl]-5-[(3,4-dimethoxyphenyl)methylidene]imidazol-4-one
CID 6532750
[5-[(E)-[2-(2-bromophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] acetate
CID 1204836
(4E)-2-(2-bromophenyl)-4-[(4-methoxy-3-propoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2199382
4-[4-[(3,4-dimethoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]benzoic acid
CID 3681343
5-[(3,4-diethoxyphenyl)methylidene]-3-methyl-2-(2-methylphenyl)imidazol-4-one
CID 91989029
2-bromo-N'-[4-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]benzohydrazide
CID 6202881
4-[(4Z)-4-[(4-bromophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]butanoic acid
CID 134824256
(5Z)-2-(2,4-dichlorophenyl)-3-[6-[(4E)-2-(2,4-dichlorophenyl)-5-oxo-4-[(4-propan-2-yloxyphenyl)methylidene]imidazol-1-yl]hexyl]-5-[(4-propan-2-yloxyphenyl)methylidene]imidazol-4-one
CID 6223588

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(2-bromophenyl)-3-[6-[(4E)-2-(2-bromophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-oxoimidazol-1-yl]hexyl]-5-[(3,4-dimethoxyphenyl)methylidene]imidazol-4-one?
The IUPAC name of (5Z)-2-(2-bromophenyl)-3-[6-[(4E)-2-(2-bromophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-oxoimidazol-1-yl]hexyl]-5-[(3,4-dimethoxyphenyl)methylidene]imidazol-4-one (CID 6223613) is (5Z)-2-(2-bromophenyl)-3-[6-[(4E)-2-(2-bromophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-oxoimidazol-1-yl]hexyl]-5-[(3,4-dimethoxyphenyl)methylidene]imidazol-4-one.
What is the SMILES notation for (5Z)-2-(2-bromophenyl)-3-[6-[(4E)-2-(2-bromophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-oxoimidazol-1-yl]hexyl]-5-[(3,4-dimethoxyphenyl)methylidene]imidazol-4-one?
The canonical SMILES for (5Z)-2-(2-bromophenyl)-3-[6-[(4E)-2-(2-bromophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-oxoimidazol-1-yl]hexyl]-5-[(3,4-dimethoxyphenyl)methylidene]imidazol-4-one is COc1ccc(/C=C2\N=C(c3ccccc3Br)N(CCCCCCN3C(=O)/C(=C\c4ccc(OC)c(OC)c4)N=C3c3ccccc3Br)C2=O)cc1OC.
What is the InChIKey of (5Z)-2-(2-bromophenyl)-3-[6-[(4E)-2-(2-bromophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-oxoimidazol-1-yl]hexyl]-5-[(3,4-dimethoxyphenyl)methylidene]imidazol-4-one?
The InChIKey is PHLOJXGHUPSOBL-HUMGCQOQSA-N. The full InChI is InChI=1S/C42H40Br2N4O6/c1-51-35-19-17-27(25-37(35)53-3)23-33-41(49)47(39(45-33)29-13-7-9-15-31(29)43)21-11-5-6-12-22-48-40(30-14-8-10-16-32(30)44)46-34(42(48)50)24-28-18-20-36(52-2)38(26-28)54-4/h7-10,13-20,23-26H,5-6,11-12,21-22H2,1-4H3/b33-23-,34-24+.
What are the key properties of (5Z)-2-(2-bromophenyl)-3-[6-[(4E)-2-(2-bromophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-oxoimidazol-1-yl]hexyl]-5-[(3,4-dimethoxyphenyl)methylidene]imidazol-4-one?
(5Z)-2-(2-bromophenyl)-3-[6-[(4E)-2-(2-bromophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-oxoimidazol-1-yl]hexyl]-5-[(3,4-dimethoxyphenyl)methylidene]imidazol-4-one has a molecular weight of 856.61 g/mol, XLogP of 8.77, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(2-bromophenyl)-3-[6-[(4E)-2-(2-bromophenyl)-4-[(3,4-dimethoxyphenyl)methylidene]-5-oxoimidazol-1-yl]hexyl]-5-[(3,4-dimethoxyphenyl)methylidene]imidazol-4-one is sourced from PubChem (CID 6223613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).