2-(2,6-dimethoxyphenyl)-6-fluoro-1H-benzimidazole

C15H13FN2O2 — CID 60979329

IUPAC2-(2,6-dimethoxyphenyl)-6-fluoro-1H-benzimidazole
SMILESCOc1cccc(OC)c1-c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C15H13FN2O2/c1-19-12-4-3-5-13(20-2)14(12)15-17-10-7-6-9(16)8-11(10)18-15/h3-8H,1-2H3,(H,17,18)
InChIKeyWVMJHNUGFINHMK-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.39
Rot. Bonds3

About 2-(2,6-dimethoxyphenyl)-6-fluoro-1H-benzimidazole

2-(2,6-dimethoxyphenyl)-6-fluoro-1H-benzimidazole (PubChem CID 60979329) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenyl)-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenyl)-6-fluoro-1H-benzimidazole
PubChem CID60979329
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name2-(2,6-dimethoxyphenyl)-6-fluoro-1H-benzimidazole
SMILESCOc1cccc(OC)c1-c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C15H13FN2O2/c1-19-12-4-3-5-13(20-2)14(12)15-17-10-7-6-9(16)8-11(10)18-15/h3-8H,1-2H3,(H,17,18)
InChIKeyWVMJHNUGFINHMK-UHFFFAOYSA-N
XLogP3.39
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-difluorophenyl)-6-fluoro-1H-benzimidazole
CID 60979328
2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole
CID 60979200
2-(2,4-dimethoxy-3-methylphenyl)-6-fluoro-1H-benzimidazole
CID 46986195
2-[2-(difluoromethoxy)phenyl]-6-fluoro-1H-benzimidazole
CID 60981364
2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole
CID 136929715
6-fluoro-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole
CID 71296316
4-(6-fluoro-1H-benzimidazol-2-yl)fluoren-9-one
CID 59208169
2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-5-fluoroaniline
CID 61364901
4-fluoro-2-(2-fluoro-6-methoxyphenyl)-1H-benzimidazole
CID 65434615
2-(3-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 114020270
6-fluoro-2-(4-methylsulfanylphenyl)-1H-benzimidazole
CID 112730258
2-(3,4-diethoxyphenyl)-6-fluoro-1H-benzimidazole
CID 103597133

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyphenyl)-6-fluoro-1H-benzimidazole?
The IUPAC name of 2-(2,6-dimethoxyphenyl)-6-fluoro-1H-benzimidazole (CID 60979329) is 2-(2,6-dimethoxyphenyl)-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-(2,6-dimethoxyphenyl)-6-fluoro-1H-benzimidazole?
The canonical SMILES for 2-(2,6-dimethoxyphenyl)-6-fluoro-1H-benzimidazole is COc1cccc(OC)c1-c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 2-(2,6-dimethoxyphenyl)-6-fluoro-1H-benzimidazole?
The InChIKey is WVMJHNUGFINHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-19-12-4-3-5-13(20-2)14(12)15-17-10-7-6-9(16)8-11(10)18-15/h3-8H,1-2H3,(H,17,18).
What are the key properties of 2-(2,6-dimethoxyphenyl)-6-fluoro-1H-benzimidazole?
2-(2,6-dimethoxyphenyl)-6-fluoro-1H-benzimidazole has a molecular weight of 272.28 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyphenyl)-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 60979329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).