N-(2,6-dichloro-4-nitrophenyl)-4H-imidazol-2-amine

C9H6Cl2N4O2 — CID 67685287

IUPACN-(2,6-dichloro-4-nitrophenyl)-4H-imidazol-2-amine
SMILESO=[N+]([O-])c1cc(Cl)c(NC2=NCC=N2)c(Cl)c1
InChIInChI=1S/C9H6Cl2N4O2/c10-6-3-5(15(16)17)4-7(11)8(6)14-9-12-1-2-13-9/h1,3-4H,2H2,(H,13,14)
InChIKeyUKASPBMOUQPNLT-UHFFFAOYSA-N
MW273.08 g/mol
LogP2.75
Rot. Bonds2

About N-(2,6-dichloro-4-nitrophenyl)-4H-imidazol-2-amine

N-(2,6-dichloro-4-nitrophenyl)-4H-imidazol-2-amine (PubChem CID 67685287) has the molecular formula C9H6Cl2N4O2 and a molecular weight of 273.08 g/mol. Its IUPAC name is N-(2,6-dichloro-4-nitrophenyl)-4H-imidazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dichloro-4-nitrophenyl)-4H-imidazol-2-amine
PubChem CID67685287
Molecular FormulaC9H6Cl2N4O2
Molecular Weight273.08 g/mol
Exact Mass271.99
IUPAC NameN-(2,6-dichloro-4-nitrophenyl)-4H-imidazol-2-amine
SMILESO=[N+]([O-])c1cc(Cl)c(NC2=NCC=N2)c(Cl)c1
InChIInChI=1S/C9H6Cl2N4O2/c10-6-3-5(15(16)17)4-7(11)8(6)14-9-12-1-2-13-9/h1,3-4H,2H2,(H,13,14)
InChIKeyUKASPBMOUQPNLT-UHFFFAOYSA-N
XLogP2.75
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.08
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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CID 13358260
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CID 106891417
3,4,6-trichloro-5-(2,6-dichloro-4-nitroanilino)benzene-1,2-dicarbonitrile
CID 89305085
N-(2,6-dichloro-4-nitrophenyl)-1,3-dimethylpyrazol-4-amine
CID 104917704
2-(2,6-dichloro-4-nitroanilino)cycloheptan-1-ol
CID 106891661
N-(2,6-dichloro-4-nitrophenyl)piperidin-1-amine
CID 106891652
1-N-(2,6-dichloro-4-nitrophenyl)cyclobutane-1,3-diamine
CID 106891740
N-(2,6-dichloro-4-nitrophenyl)-1-ethylpyrazol-4-amine
CID 104917216
sodium 2,6-dichloro-4-nitrophenolate
CID 12589660
N-(2,6-dichlorophenyl)-2,4,6-trinitroaniline
CID 21440765
N-(2,6-dichloro-4-nitrophenyl)-1-pyrimidin-2-ylpyrazol-4-amine
CID 133454887
2,6-dichloro-N-(2-chloroprop-2-enyl)-4-nitroaniline
CID 106891675

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-4-nitrophenyl)-4H-imidazol-2-amine?
The IUPAC name of N-(2,6-dichloro-4-nitrophenyl)-4H-imidazol-2-amine (CID 67685287) is N-(2,6-dichloro-4-nitrophenyl)-4H-imidazol-2-amine.
What is the SMILES notation for N-(2,6-dichloro-4-nitrophenyl)-4H-imidazol-2-amine?
The canonical SMILES for N-(2,6-dichloro-4-nitrophenyl)-4H-imidazol-2-amine is O=[N+]([O-])c1cc(Cl)c(NC2=NCC=N2)c(Cl)c1.
What is the InChIKey of N-(2,6-dichloro-4-nitrophenyl)-4H-imidazol-2-amine?
The InChIKey is UKASPBMOUQPNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N4O2/c10-6-3-5(15(16)17)4-7(11)8(6)14-9-12-1-2-13-9/h1,3-4H,2H2,(H,13,14).
What are the key properties of N-(2,6-dichloro-4-nitrophenyl)-4H-imidazol-2-amine?
N-(2,6-dichloro-4-nitrophenyl)-4H-imidazol-2-amine has a molecular weight of 273.08 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-4-nitrophenyl)-4H-imidazol-2-amine is sourced from PubChem (CID 67685287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).