methyl 2-(2-bromo-6-fluorophenyl)-1H-benzimidazole-4-carboxylate

C15H10BrFN2O2 — CID 114560144

IUPACmethyl 2-(2-bromo-6-fluorophenyl)-1H-benzimidazole-4-carboxylate
SMILESCOC(=O)c1cccc2[nH]c(-c3c(F)cccc3Br)nc12
InChIInChI=1S/C15H10BrFN2O2/c1-21-15(20)8-4-2-7-11-13(8)19-14(18-11)12-9(16)5-3-6-10(12)17/h2-7H,1H3,(H,18,19)
InChIKeyMAYHVAFKIQJBEU-UHFFFAOYSA-N
MW349.16 g/mol
LogP3.92
Rot. Bonds2

About methyl 2-(2-bromo-6-fluorophenyl)-1H-benzimidazole-4-carboxylate

methyl 2-(2-bromo-6-fluorophenyl)-1H-benzimidazole-4-carboxylate (PubChem CID 114560144) has the molecular formula C15H10BrFN2O2 and a molecular weight of 349.16 g/mol. Its IUPAC name is methyl 2-(2-bromo-6-fluorophenyl)-1H-benzimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-bromo-6-fluorophenyl)-1H-benzimidazole-4-carboxylate
PubChem CID114560144
Molecular FormulaC15H10BrFN2O2
Molecular Weight349.16 g/mol
Exact Mass347.99
IUPAC Namemethyl 2-(2-bromo-6-fluorophenyl)-1H-benzimidazole-4-carboxylate
SMILESCOC(=O)c1cccc2[nH]c(-c3c(F)cccc3Br)nc12
InChIInChI=1S/C15H10BrFN2O2/c1-21-15(20)8-4-2-7-11-13(8)19-14(18-11)12-9(16)5-3-6-10(12)17/h2-7H,1H3,(H,18,19)
InChIKeyMAYHVAFKIQJBEU-UHFFFAOYSA-N
XLogP3.92
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-fluoro-3-methylphenyl)-1H-benzimidazole-4-carboxylate
CID 115357577
methyl 2-(5-bromofuran-2-yl)-1H-benzimidazole-4-carboxylate
CID 113293389
methyl 2-(4-chloro-2-oxo-1H-pyridin-3-yl)-1H-benzimidazole-4-carboxylate
CID 136502034
methyl 2-(3,4-dichlorophenyl)-1H-benzimidazole-4-carboxylate
CID 115357533
methyl 2-[4-chloro-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxylate
CID 67201064
methyl 2-(2-ethylphenyl)-1H-benzimidazole-4-carboxylate
CID 115357707
methyl 2-(1,5-dimethylpyrazol-4-yl)-1H-benzimidazole-4-carboxylate
CID 115357586
methyl 4-(4-bromo-1H-benzimidazol-2-yl)benzoate
CID 166067422
4-fluoro-2-(2-fluoro-6-methoxyphenyl)-1H-benzimidazole
CID 65434615
4-methoxycarbonyl-1H-benzimidazole-2-carboxylic acid
CID 18354914
2-(2-bromo-6-fluorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 114560132
methyl 2-(2-methoxy-3-pyridinyl)-1H-benzimidazole-4-carboxylate
CID 115357602

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-bromo-6-fluorophenyl)-1H-benzimidazole-4-carboxylate?
The IUPAC name of methyl 2-(2-bromo-6-fluorophenyl)-1H-benzimidazole-4-carboxylate (CID 114560144) is methyl 2-(2-bromo-6-fluorophenyl)-1H-benzimidazole-4-carboxylate.
What is the SMILES notation for methyl 2-(2-bromo-6-fluorophenyl)-1H-benzimidazole-4-carboxylate?
The canonical SMILES for methyl 2-(2-bromo-6-fluorophenyl)-1H-benzimidazole-4-carboxylate is COC(=O)c1cccc2[nH]c(-c3c(F)cccc3Br)nc12.
What is the InChIKey of methyl 2-(2-bromo-6-fluorophenyl)-1H-benzimidazole-4-carboxylate?
The InChIKey is MAYHVAFKIQJBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O2/c1-21-15(20)8-4-2-7-11-13(8)19-14(18-11)12-9(16)5-3-6-10(12)17/h2-7H,1H3,(H,18,19).
What are the key properties of methyl 2-(2-bromo-6-fluorophenyl)-1H-benzimidazole-4-carboxylate?
methyl 2-(2-bromo-6-fluorophenyl)-1H-benzimidazole-4-carboxylate has a molecular weight of 349.16 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-bromo-6-fluorophenyl)-1H-benzimidazole-4-carboxylate is sourced from PubChem (CID 114560144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).