5-chloro-4-(4-chloro-3-nitrophenyl)-1-(difluoromethyl)-2-methylimidazole

C11H7Cl2F2N3O2 — CID 21266798

IUPAC5-chloro-4-(4-chloro-3-nitrophenyl)-1-(difluoromethyl)-2-methylimidazole
SMILESCc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)c(Cl)n1C(F)F
InChIInChI=1S/C11H7Cl2F2N3O2/c1-5-16-9(10(13)17(5)11(14)15)6-2-3-7(12)8(4-6)18(19)20/h2-4,11H,1H3
InChIKeyPHXSOHDVCUWZBA-UHFFFAOYSA-N
MW322.10 g/mol
LogP4.47
Rot. Bonds3

About 5-chloro-4-(4-chloro-3-nitrophenyl)-1-(difluoromethyl)-2-methylimidazole

5-chloro-4-(4-chloro-3-nitrophenyl)-1-(difluoromethyl)-2-methylimidazole (PubChem CID 21266798) has the molecular formula C11H7Cl2F2N3O2 and a molecular weight of 322.10 g/mol. Its IUPAC name is 5-chloro-4-(4-chloro-3-nitrophenyl)-1-(difluoromethyl)-2-methylimidazole.

Molecular Properties

Compound Name5-chloro-4-(4-chloro-3-nitrophenyl)-1-(difluoromethyl)-2-methylimidazole
PubChem CID21266798
Molecular FormulaC11H7Cl2F2N3O2
Molecular Weight322.10 g/mol
Exact Mass320.99
IUPAC Name5-chloro-4-(4-chloro-3-nitrophenyl)-1-(difluoromethyl)-2-methylimidazole
SMILESCc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)c(Cl)n1C(F)F
InChIInChI=1S/C11H7Cl2F2N3O2/c1-5-16-9(10(13)17(5)11(14)15)6-2-3-7(12)8(4-6)18(19)20/h2-4,11H,1H3
InChIKeyPHXSOHDVCUWZBA-UHFFFAOYSA-N
XLogP4.47
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.10
LogP ≤ 54.47
H-Bond Donors ≤ 50
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

4-bromo-3-(4-chloro-3-nitrophenyl)-5-(difluoromethoxy)-1-methylpyrazole
CID 18401368
2,6-bis(3,4-dichlorophenyl)-3-nitropyridine
CID 133087521
5-(4-chloro-3-nitrophenyl)-3-ethyl-1,2,4-oxadiazole
CID 23010472
[2-(4-chloro-3-nitrophenyl)-5-ethyl-1,3-thiazol-4-yl]methanol
CID 117099046
(4-chloro-3-nitrophenyl)-[(3,5-dimethyl-1,2,4-triazol-4-yl)amino]methanol
CID 118096554
ethyl 2-amino-4-(4-chloro-3-nitrophenyl)-1,3-thiazole-5-carboxylate
CID 22282457
2-(4-chloro-3-nitrophenyl)-4-(3-chlorophenyl)-5-phenyl-1H-imidazole
CID 3796368
(4-chloro-3-nitrophenyl)-(4-methylphenyl)methanone
CID 838862
(4-chloro-3-nitrophenyl)-trifluoroboranuide
CID 56845226
N-[5-(4-chloro-3-nitrophenyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 163363703
5-(4-chloro-3-nitrophenyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 8895254
6-chloro-2-(3-fluoro-4-methylphenyl)-3-nitropyridine
CID 115502582

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-chloro-3-nitrophenyl)-1-(difluoromethyl)-2-methylimidazole?
The IUPAC name of 5-chloro-4-(4-chloro-3-nitrophenyl)-1-(difluoromethyl)-2-methylimidazole (CID 21266798) is 5-chloro-4-(4-chloro-3-nitrophenyl)-1-(difluoromethyl)-2-methylimidazole.
What is the SMILES notation for 5-chloro-4-(4-chloro-3-nitrophenyl)-1-(difluoromethyl)-2-methylimidazole?
The canonical SMILES for 5-chloro-4-(4-chloro-3-nitrophenyl)-1-(difluoromethyl)-2-methylimidazole is Cc1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)c(Cl)n1C(F)F.
What is the InChIKey of 5-chloro-4-(4-chloro-3-nitrophenyl)-1-(difluoromethyl)-2-methylimidazole?
The InChIKey is PHXSOHDVCUWZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2F2N3O2/c1-5-16-9(10(13)17(5)11(14)15)6-2-3-7(12)8(4-6)18(19)20/h2-4,11H,1H3.
What are the key properties of 5-chloro-4-(4-chloro-3-nitrophenyl)-1-(difluoromethyl)-2-methylimidazole?
5-chloro-4-(4-chloro-3-nitrophenyl)-1-(difluoromethyl)-2-methylimidazole has a molecular weight of 322.10 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-chloro-3-nitrophenyl)-1-(difluoromethyl)-2-methylimidazole is sourced from PubChem (CID 21266798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).