(2R)-2-chloro-4-nitro-2,3-dihydro-1H-imidazole

C3H4ClN3O2 — CID 90222265

IUPAC(2R)-2-chloro-4-nitro-2,3-dihydro-1H-imidazole
SMILESO=[N+]([O-])C1=CN[C@@H](Cl)N1
InChIInChI=1S/C3H4ClN3O2/c4-3-5-1-2(6-3)7(8)9/h1,3,5-6H/t3-/m1/s1
InChIKeyROLLEHIMAWCJCS-GSVOUGTGSA-N
MW149.54 g/mol
LogP-0.22
Rot. Bonds1

About (2R)-2-chloro-4-nitro-2,3-dihydro-1H-imidazole

(2R)-2-chloro-4-nitro-2,3-dihydro-1H-imidazole (PubChem CID 90222265) has the molecular formula C3H4ClN3O2 and a molecular weight of 149.54 g/mol. Its IUPAC name is (2R)-2-chloro-4-nitro-2,3-dihydro-1H-imidazole.

Molecular Properties

Compound Name(2R)-2-chloro-4-nitro-2,3-dihydro-1H-imidazole
PubChem CID90222265
Molecular FormulaC3H4ClN3O2
Molecular Weight149.54 g/mol
Exact Mass149.00
IUPAC Name(2R)-2-chloro-4-nitro-2,3-dihydro-1H-imidazole
SMILESO=[N+]([O-])C1=CN[C@@H](Cl)N1
InChIInChI=1S/C3H4ClN3O2/c4-3-5-1-2(6-3)7(8)9/h1,3,5-6H/t3-/m1/s1
InChIKeyROLLEHIMAWCJCS-GSVOUGTGSA-N
XLogP-0.22
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.54
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-chloro-5-nitro-1H-pyridine-4-thione
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-4-nitro-2,3-dihydro-1H-imidazole?
The IUPAC name of (2R)-2-chloro-4-nitro-2,3-dihydro-1H-imidazole (CID 90222265) is (2R)-2-chloro-4-nitro-2,3-dihydro-1H-imidazole.
What is the SMILES notation for (2R)-2-chloro-4-nitro-2,3-dihydro-1H-imidazole?
The canonical SMILES for (2R)-2-chloro-4-nitro-2,3-dihydro-1H-imidazole is O=[N+]([O-])C1=CN[C@@H](Cl)N1.
What is the InChIKey of (2R)-2-chloro-4-nitro-2,3-dihydro-1H-imidazole?
The InChIKey is ROLLEHIMAWCJCS-GSVOUGTGSA-N. The full InChI is InChI=1S/C3H4ClN3O2/c4-3-5-1-2(6-3)7(8)9/h1,3,5-6H/t3-/m1/s1.
What are the key properties of (2R)-2-chloro-4-nitro-2,3-dihydro-1H-imidazole?
(2R)-2-chloro-4-nitro-2,3-dihydro-1H-imidazole has a molecular weight of 149.54 g/mol, XLogP of -0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-4-nitro-2,3-dihydro-1H-imidazole is sourced from PubChem (CID 90222265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).