2-[bromo(difluoro)methyl]-6-methoxy-1H-benzimidazole

C9H7BrF2N2O — CID 119085033

IUPAC2-[bromo(difluoro)methyl]-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(C(F)(F)Br)[nH]c2c1
InChIInChI=1S/C9H7BrF2N2O/c1-15-5-2-3-6-7(4-5)14-8(13-6)9(10,11)12/h2-4H,1H3,(H,13,14)
InChIKeySDKJRXCOIRFONG-UHFFFAOYSA-N
MW277.07 g/mol
LogP3.02
Rot. Bonds2

About 2-[bromo(difluoro)methyl]-6-methoxy-1H-benzimidazole

2-[bromo(difluoro)methyl]-6-methoxy-1H-benzimidazole (PubChem CID 119085033) has the molecular formula C9H7BrF2N2O and a molecular weight of 277.07 g/mol. Its IUPAC name is 2-[bromo(difluoro)methyl]-6-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-[bromo(difluoro)methyl]-6-methoxy-1H-benzimidazole
PubChem CID119085033
Molecular FormulaC9H7BrF2N2O
Molecular Weight277.07 g/mol
Exact Mass275.97
IUPAC Name2-[bromo(difluoro)methyl]-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(C(F)(F)Br)[nH]c2c1
InChIInChI=1S/C9H7BrF2N2O/c1-15-5-2-3-6-7(4-5)14-8(13-6)9(10,11)12/h2-4H,1H3,(H,13,14)
InChIKeySDKJRXCOIRFONG-UHFFFAOYSA-N
XLogP3.02
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.07
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-6-methoxy-1H-benzimidazole
CID 58861925
6-bromo-2-[bromo(difluoro)methyl]-1H-benzimidazole
CID 119085035
7-methoxy-3-(trifluoromethyl)-1H-quinoxalin-2-one
CID 11806856
6-methoxy-N-methyl-1H-benzimidazol-2-amine
CID 82562601
4-methoxy-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide
CID 45494073
3,7-dimethoxy-1H-quinoxalin-2-one
CID 130182707
6-methoxy-2-nitro-1H-benzimidazole
CID 24860
6-methoxy-N-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
CID 82562585
2-(4-bromo-3-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65017648
6-chloro-2-(1,1-difluoroethyl)-1H-benzimidazole
CID 130632057
2-(2-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65017607
N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 71690232

Frequently Asked Questions

What is the IUPAC name of 2-[bromo(difluoro)methyl]-6-methoxy-1H-benzimidazole?
The IUPAC name of 2-[bromo(difluoro)methyl]-6-methoxy-1H-benzimidazole (CID 119085033) is 2-[bromo(difluoro)methyl]-6-methoxy-1H-benzimidazole.
What is the SMILES notation for 2-[bromo(difluoro)methyl]-6-methoxy-1H-benzimidazole?
The canonical SMILES for 2-[bromo(difluoro)methyl]-6-methoxy-1H-benzimidazole is COc1ccc2nc(C(F)(F)Br)[nH]c2c1.
What is the InChIKey of 2-[bromo(difluoro)methyl]-6-methoxy-1H-benzimidazole?
The InChIKey is SDKJRXCOIRFONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2N2O/c1-15-5-2-3-6-7(4-5)14-8(13-6)9(10,11)12/h2-4H,1H3,(H,13,14).
What are the key properties of 2-[bromo(difluoro)methyl]-6-methoxy-1H-benzimidazole?
2-[bromo(difluoro)methyl]-6-methoxy-1H-benzimidazole has a molecular weight of 277.07 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo(difluoro)methyl]-6-methoxy-1H-benzimidazole is sourced from PubChem (CID 119085033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).