(2E)-1-[(3,5-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine

C11H11Cl2N3O2 — CID 102012675

IUPAC(2E)-1-[(3,5-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine
SMILESO=[N+]([O-])/C=C1\NCCN1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H11Cl2N3O2/c12-9-3-8(4-10(13)5-9)6-15-2-1-14-11(15)7-16(17)18/h3-5,7,14H,1-2,6H2/b11-7+
InChIKeyLYHLLGVKFVPYHR-YRNVUSSQSA-N
MW288.13 g/mol
LogP2.47
Rot. Bonds3

About (2E)-1-[(3,5-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine

(2E)-1-[(3,5-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine (PubChem CID 102012675) has the molecular formula C11H11Cl2N3O2 and a molecular weight of 288.13 g/mol. Its IUPAC name is (2E)-1-[(3,5-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine.

Molecular Properties

Compound Name(2E)-1-[(3,5-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine
PubChem CID102012675
Molecular FormulaC11H11Cl2N3O2
Molecular Weight288.13 g/mol
Exact Mass287.02
IUPAC Name(2E)-1-[(3,5-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine
SMILESO=[N+]([O-])/C=C1\NCCN1Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H11Cl2N3O2/c12-9-3-8(4-10(13)5-9)6-15-2-1-14-11(15)7-16(17)18/h3-5,7,14H,1-2,6H2/b11-7+
InChIKeyLYHLLGVKFVPYHR-YRNVUSSQSA-N
XLogP2.47
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Imidazolidine2nitromethylene1benzyl
CID 56697261
(2E)-1-[(4-chlorophenyl)methyl]-2-(nitromethylidene)imidazolidine
CID 59165354
(2E)-1-[(2-chlorophenyl)methyl]-2-(nitromethylidene)imidazolidine
CID 67844358
(2E)-1-[(3-chlorophenyl)methyl]-2-(nitromethylidene)imidazolidine
CID 76311922
1-[(4-Chlorophenyl)methyl]-2-(nitromethylidene)imidazolidine
CID 53440300
1-[(4-Chloro-3-fluorophenyl)methyl]-2-(nitromethylidene)imidazolidine
CID 67844350
(2E)-1-[(3-chloro-4-fluorophenyl)methyl]-2-(nitromethylidene)imidazolidine
CID 134099796
n-(3,5-Dichlorobenzyl)-2-(pyrrolidin-1-yl)ethan-1-amine
CID 51117687
(E)-1-N-[(4-chlorophenyl)methyl]-1-N',1-N'-dimethyl-2-nitroethene-1,1-diamine
CID 15477305
(E)-1-N'-[(4-chlorophenyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine
CID 18649370
(2Z)-1-[(4-chlorophenyl)methyl]-2-(nitromethylidene)-1,3-diazinane
CID 20131136
(Z)-1-N'-[(4-chlorophenyl)methyl]-1-N,1-N'-dimethyl-2-nitroethene-1,1-diamine
CID 22450311

Frequently Asked Questions

What is the IUPAC name of (2E)-1-[(3,5-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine?
The IUPAC name of (2E)-1-[(3,5-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine (CID 102012675) is (2E)-1-[(3,5-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine.
What is the SMILES notation for (2E)-1-[(3,5-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine?
The canonical SMILES for (2E)-1-[(3,5-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine is O=[N+]([O-])/C=C1\NCCN1Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (2E)-1-[(3,5-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine?
The InChIKey is LYHLLGVKFVPYHR-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H11Cl2N3O2/c12-9-3-8(4-10(13)5-9)6-15-2-1-14-11(15)7-16(17)18/h3-5,7,14H,1-2,6H2/b11-7+.
What are the key properties of (2E)-1-[(3,5-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine?
(2E)-1-[(3,5-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine has a molecular weight of 288.13 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-[(3,5-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine is sourced from PubChem (CID 102012675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).