(5E)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-bis[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione

C31H20Cl6N2O3 — CID 122193477

IUPAC(5E)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-bis[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N(Cc2ccc(Cl)c(Cl)c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C31H20Cl6N2O3/c32-23-8-3-19(11-26(23)35)15-38-29(30(40)39(31(38)41)16-20-4-9-24(33)27(36)12-20)14-18-1-6-22(7-2-18)42-17-21-5-10-25(34)28(37)13-21/h1-14H,15-17H2/b29-14+
InChIKeyKNAMBPKPGLFZRG-IPPBACCNSA-N
MW681.23 g/mol
LogP10.19
Rot. Bonds8

About (5E)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-bis[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione

(5E)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-bis[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione (PubChem CID 122193477) has the molecular formula C31H20Cl6N2O3 and a molecular weight of 681.23 g/mol. Its IUPAC name is (5E)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-bis[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-bis[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione
PubChem CID122193477
Molecular FormulaC31H20Cl6N2O3
Molecular Weight681.23 g/mol
Exact Mass677.96
IUPAC Name(5E)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-bis[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione
SMILESO=C1/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N(Cc2ccc(Cl)c(Cl)c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C31H20Cl6N2O3/c32-23-8-3-19(11-26(23)35)15-38-29(30(40)39(31(38)41)16-20-4-9-24(33)27(36)12-20)14-18-1-6-22(7-2-18)42-17-21-5-10-25(34)28(37)13-21/h1-14H,15-17H2/b29-14+
InChIKeyKNAMBPKPGLFZRG-IPPBACCNSA-N
XLogP10.19
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.23
LogP ≤ 510.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-ethyl-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 1312195
(5E)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]imidazolidine-2,4-dione
CID 126252150
(5E)-3-[(3,4-dichlorophenyl)methyl]-5-[[4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 124666128
(5E)-3-[(3,4-dichlorophenyl)methyl]-5-[[4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 124666146
(5E)-3-(4-chlorophenyl)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 7015030
(5Z)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 21191198
4-[5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
CID 72655023
3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoyl chloride
CID 131847801
1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280207
(5Z)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-4-hydroxy-1,3-thiazolidin-2-one
CID 142089328
2-[(4E)-3-benzyl-4-[[4-(carboxymethoxy)phenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 122193542
(5E)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 124665694

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-bis[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-bis[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione (CID 122193477) is (5E)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-bis[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-bis[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-bis[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione is O=C1/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)N(Cc2ccc(Cl)c(Cl)c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (5E)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-bis[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is KNAMBPKPGLFZRG-IPPBACCNSA-N. The full InChI is InChI=1S/C31H20Cl6N2O3/c32-23-8-3-19(11-26(23)35)15-38-29(30(40)39(31(38)41)16-20-4-9-24(33)27(36)12-20)14-18-1-6-22(7-2-18)42-17-21-5-10-25(34)28(37)13-21/h1-14H,15-17H2/b29-14+.
What are the key properties of (5E)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-bis[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione?
(5E)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-bis[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 681.23 g/mol, XLogP of 10.19, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-bis[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 122193477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).