1-[(2,4-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine

C11H11Cl2N3O2 — CID 131883651

IUPAC1-[(2,4-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine
SMILESO=[N+]([O-])C=C1NCCN1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2N3O2/c12-9-2-1-8(10(13)5-9)6-15-4-3-14-11(15)7-16(17)18/h1-2,5,7,14H,3-4,6H2
InChIKeyCDFQDOBGPMLLAA-UHFFFAOYSA-N
MW288.13 g/mol
LogP2.47
Rot. Bonds3

About 1-[(2,4-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine

1-[(2,4-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine (PubChem CID 131883651) has the molecular formula C11H11Cl2N3O2 and a molecular weight of 288.13 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine
PubChem CID131883651
Molecular FormulaC11H11Cl2N3O2
Molecular Weight288.13 g/mol
Exact Mass287.02
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine
SMILESO=[N+]([O-])C=C1NCCN1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl2N3O2/c12-9-2-1-8(10(13)5-9)6-15-4-3-14-11(15)7-16(17)18/h1-2,5,7,14H,3-4,6H2
InChIKeyCDFQDOBGPMLLAA-UHFFFAOYSA-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

1-[(2-chlorophenyl)methyl]-2-(nitromethylidene)imidazolidine
CID 67844361
(2E)-1-[(3,5-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine
CID 102012675
(2E)-1-[(3,4-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine
CID 67844427
5-chloro-2-[[2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine
CID 67765136
1-(furan-3-ylmethyl)-2-(nitromethylidene)imidazolidine
CID 71378211
2-(nitromethylidene)-1-prop-2-enylimidazolidine
CID 70251274
1-(3-fluoropropyl)-2-(nitromethylidene)imidazolidine
CID 141432131
2-chloro-5-[[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine;(2E)-2-[1-[(6-chloro-3-pyridinyl)methyl]imidazolidin-2-ylidene]-2-nitroacetaldehyde
CID 159475040
4-[(2,5-dichlorophenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 65317921
(3S)-4-[(2,4-dichlorophenyl)methyl]-3-methylpiperazin-2-one
CID 52881469
1-[(4-chloro-2-nitrophenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 119921132
1-[(2,4-dichlorophenyl)methyl]-3-methyl-1,4-diazepan-2-one
CID 63258906

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine (CID 131883651) is 1-[(2,4-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine is O=[N+]([O-])C=C1NCCN1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine?
The InChIKey is CDFQDOBGPMLLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O2/c12-9-2-1-8(10(13)5-9)6-15-4-3-14-11(15)7-16(17)18/h1-2,5,7,14H,3-4,6H2.
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine?
1-[(2,4-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 1-[(2,4-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine is sourced from PubChem (CID 131883651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).