2-[(2-bromo-4-chlorophenoxy)methyl]-1-(difluoromethyl)benzimidazole

C15H10BrClF2N2O — CID 16625202

IUPAC2-[(2-bromo-4-chlorophenoxy)methyl]-1-(difluoromethyl)benzimidazole
SMILESFC(F)n1c(COc2ccc(Cl)cc2Br)nc2ccccc21
InChIInChI=1S/C15H10BrClF2N2O/c16-10-7-9(17)5-6-13(10)22-8-14-20-11-3-1-2-4-12(11)21(14)15(18)19/h1-7,15H,8H2
InChIKeyAMJGPYQEVMRFTF-UHFFFAOYSA-N
MW387.61 g/mol
LogP5.43
Rot. Bonds4

About 2-[(2-bromo-4-chlorophenoxy)methyl]-1-(difluoromethyl)benzimidazole

2-[(2-bromo-4-chlorophenoxy)methyl]-1-(difluoromethyl)benzimidazole (PubChem CID 16625202) has the molecular formula C15H10BrClF2N2O and a molecular weight of 387.61 g/mol. Its IUPAC name is 2-[(2-bromo-4-chlorophenoxy)methyl]-1-(difluoromethyl)benzimidazole.

Molecular Properties

Compound Name2-[(2-bromo-4-chlorophenoxy)methyl]-1-(difluoromethyl)benzimidazole
PubChem CID16625202
Molecular FormulaC15H10BrClF2N2O
Molecular Weight387.61 g/mol
Exact Mass385.96
IUPAC Name2-[(2-bromo-4-chlorophenoxy)methyl]-1-(difluoromethyl)benzimidazole
SMILESFC(F)n1c(COc2ccc(Cl)cc2Br)nc2ccccc21
InChIInChI=1S/C15H10BrClF2N2O/c16-10-7-9(17)5-6-13(10)22-8-14-20-11-3-1-2-4-12(11)21(14)15(18)19/h1-7,15H,8H2
InChIKeyAMJGPYQEVMRFTF-UHFFFAOYSA-N
XLogP5.43
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.61
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[[1-(difluoromethyl)benzimidazol-2-yl]methoxy]benzamide
CID 51127653
[1-(difluoromethyl)benzimidazol-2-yl]methyl 5-chloro-2-methoxybenzoate
CID 16624269
[1-(difluoromethyl)benzimidazol-2-yl]methyl 5,6-dichloropyridine-3-carboxylate
CID 16624802
2-[(2,4-dichlorophenoxy)methyl]-1-(2-methylpropyl)benzimidazole
CID 709669
2-(2-bromo-4-chlorophenoxy)-N-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]propanamide
CID 24665902
1-(difluoromethyl)-2-[(5-methyl-2-nitrophenoxy)methyl]benzimidazole
CID 24630067
[1-(difluoromethyl)benzimidazol-2-yl]methyl 3-bromo-4-ethoxy-5-methoxybenzoate
CID 16625175
1-(difluoromethyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole
CID 55733438
2-bromo-4-chloro-1-[(2-fluorophenyl)methoxy]benzene
CID 146003855
1-[3-(4-chlorophenoxy)propyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997224
[1-(difluoromethyl)benzimidazol-2-yl]methyl (2S,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoate
CID 16625088
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 16625060

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-chlorophenoxy)methyl]-1-(difluoromethyl)benzimidazole?
The IUPAC name of 2-[(2-bromo-4-chlorophenoxy)methyl]-1-(difluoromethyl)benzimidazole (CID 16625202) is 2-[(2-bromo-4-chlorophenoxy)methyl]-1-(difluoromethyl)benzimidazole.
What is the SMILES notation for 2-[(2-bromo-4-chlorophenoxy)methyl]-1-(difluoromethyl)benzimidazole?
The canonical SMILES for 2-[(2-bromo-4-chlorophenoxy)methyl]-1-(difluoromethyl)benzimidazole is FC(F)n1c(COc2ccc(Cl)cc2Br)nc2ccccc21.
What is the InChIKey of 2-[(2-bromo-4-chlorophenoxy)methyl]-1-(difluoromethyl)benzimidazole?
The InChIKey is AMJGPYQEVMRFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClF2N2O/c16-10-7-9(17)5-6-13(10)22-8-14-20-11-3-1-2-4-12(11)21(14)15(18)19/h1-7,15H,8H2.
What are the key properties of 2-[(2-bromo-4-chlorophenoxy)methyl]-1-(difluoromethyl)benzimidazole?
2-[(2-bromo-4-chlorophenoxy)methyl]-1-(difluoromethyl)benzimidazole has a molecular weight of 387.61 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-chlorophenoxy)methyl]-1-(difluoromethyl)benzimidazole is sourced from PubChem (CID 16625202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).