[1-(difluoromethyl)benzimidazol-2-yl]methyl 5,6-dichloropyridine-3-carboxylate

C15H9Cl2F2N3O2 — CID 16624802

IUPAC[1-(difluoromethyl)benzimidazol-2-yl]methyl 5,6-dichloropyridine-3-carboxylate
SMILESO=C(OCc1nc2ccccc2n1C(F)F)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C15H9Cl2F2N3O2/c16-9-5-8(6-20-13(9)17)14(23)24-7-12-21-10-3-1-2-4-11(10)22(12)15(18)19/h1-6,15H,7H2
InChIKeyGBYPGGSZBGMNCQ-UHFFFAOYSA-N
MW372.16 g/mol
LogP4.49
Rot. Bonds4

About [1-(difluoromethyl)benzimidazol-2-yl]methyl 5,6-dichloropyridine-3-carboxylate

[1-(difluoromethyl)benzimidazol-2-yl]methyl 5,6-dichloropyridine-3-carboxylate (PubChem CID 16624802) has the molecular formula C15H9Cl2F2N3O2 and a molecular weight of 372.16 g/mol. Its IUPAC name is [1-(difluoromethyl)benzimidazol-2-yl]methyl 5,6-dichloropyridine-3-carboxylate.

Molecular Properties

Compound Name[1-(difluoromethyl)benzimidazol-2-yl]methyl 5,6-dichloropyridine-3-carboxylate
PubChem CID16624802
Molecular FormulaC15H9Cl2F2N3O2
Molecular Weight372.16 g/mol
Exact Mass371.00
IUPAC Name[1-(difluoromethyl)benzimidazol-2-yl]methyl 5,6-dichloropyridine-3-carboxylate
SMILESO=C(OCc1nc2ccccc2n1C(F)F)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C15H9Cl2F2N3O2/c16-9-5-8(6-20-13(9)17)14(23)24-7-12-21-10-3-1-2-4-11(10)22(12)15(18)19/h1-6,15H,7H2
InChIKeyGBYPGGSZBGMNCQ-UHFFFAOYSA-N
XLogP4.49
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.16
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-ylbenzoate
CID 16624687
[1-(difluoromethyl)benzimidazol-2-yl]methyl 5-chloro-2-methoxybenzoate
CID 16624269
[1-(difluoromethyl)benzimidazol-2-yl]methyl 1-methylpyrazole-4-carboxylate
CID 16625572
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-propan-2-yloxybenzoate
CID 16610071
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 16625060
[1-(difluoromethyl)benzimidazol-2-yl]methyl 4-(difluoromethoxy)-3-methoxybenzoate
CID 16610074
4-chloro-2-[[1-(difluoromethyl)benzimidazol-2-yl]methoxy]benzamide
CID 51127653
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-fluoro-5-sulfamoylbenzoate
CID 18271109
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-(4-chloro-3-nitrobenzoyl)benzoate
CID 16624732
[1-(difluoromethyl)benzimidazol-2-yl]methyl 3-bromo-4-ethoxy-5-methoxybenzoate
CID 16625175
2-[(2-bromo-4-chlorophenoxy)methyl]-1-(difluoromethyl)benzimidazole
CID 16625202
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-hydroxy-3-methylbenzoate
CID 16624884

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)benzimidazol-2-yl]methyl 5,6-dichloropyridine-3-carboxylate?
The IUPAC name of [1-(difluoromethyl)benzimidazol-2-yl]methyl 5,6-dichloropyridine-3-carboxylate (CID 16624802) is [1-(difluoromethyl)benzimidazol-2-yl]methyl 5,6-dichloropyridine-3-carboxylate.
What is the SMILES notation for [1-(difluoromethyl)benzimidazol-2-yl]methyl 5,6-dichloropyridine-3-carboxylate?
The canonical SMILES for [1-(difluoromethyl)benzimidazol-2-yl]methyl 5,6-dichloropyridine-3-carboxylate is O=C(OCc1nc2ccccc2n1C(F)F)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of [1-(difluoromethyl)benzimidazol-2-yl]methyl 5,6-dichloropyridine-3-carboxylate?
The InChIKey is GBYPGGSZBGMNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F2N3O2/c16-9-5-8(6-20-13(9)17)14(23)24-7-12-21-10-3-1-2-4-11(10)22(12)15(18)19/h1-6,15H,7H2.
What are the key properties of [1-(difluoromethyl)benzimidazol-2-yl]methyl 5,6-dichloropyridine-3-carboxylate?
[1-(difluoromethyl)benzimidazol-2-yl]methyl 5,6-dichloropyridine-3-carboxylate has a molecular weight of 372.16 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)benzimidazol-2-yl]methyl 5,6-dichloropyridine-3-carboxylate is sourced from PubChem (CID 16624802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).