2-(3,5-dimethoxyphenyl)-4-fluoro-1H-benzimidazole

C15H13FN2O2 — CID 60977992

IUPAC2-(3,5-dimethoxyphenyl)-4-fluoro-1H-benzimidazole
SMILESCOc1cc(OC)cc(-c2nc3c(F)cccc3[nH]2)c1
InChIInChI=1S/C15H13FN2O2/c1-19-10-6-9(7-11(8-10)20-2)15-17-13-5-3-4-12(16)14(13)18-15/h3-8H,1-2H3,(H,17,18)
InChIKeyXDKWJOBFTNOXCB-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.39
Rot. Bonds3

About 2-(3,5-dimethoxyphenyl)-4-fluoro-1H-benzimidazole

2-(3,5-dimethoxyphenyl)-4-fluoro-1H-benzimidazole (PubChem CID 60977992) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-4-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-4-fluoro-1H-benzimidazole
PubChem CID60977992
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name2-(3,5-dimethoxyphenyl)-4-fluoro-1H-benzimidazole
SMILESCOc1cc(OC)cc(-c2nc3c(F)cccc3[nH]2)c1
InChIInChI=1S/C15H13FN2O2/c1-19-10-6-9(7-11(8-10)20-2)15-17-13-5-3-4-12(16)14(13)18-15/h3-8H,1-2H3,(H,17,18)
InChIKeyXDKWJOBFTNOXCB-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

4-fluoro-2-(4-methylphenyl)-1H-benzimidazole
CID 60979204
4-fluoro-2-(2-fluoro-6-methoxyphenyl)-1H-benzimidazole
CID 65434615
2-(4-chloro-2-methoxyphenyl)-4-fluoro-1H-benzimidazole
CID 64723337
4-fluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole
CID 64721931
4,6-dibromo-2-(3,5-dimethoxyphenyl)-1H-benzimidazole
CID 91686527
2-(3-bromo-4-fluorophenyl)-4-fluoro-1H-benzimidazole
CID 114020271
2-(3-methoxyphenyl)-4-phenyl-1H-benzimidazole
CID 67700027
4-(4-fluoro-1H-benzimidazol-2-yl)-2-methylaniline
CID 60784143
4-bromo-2-(4-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 58065677
2-(3,5-dimethoxyphenyl)-4,6-dimethyl-1H-benzimidazole
CID 82942404
4-[(2-fluorophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
CID 67700995
2-(5-bromothiophen-3-yl)-4-fluoro-1H-benzimidazole
CID 103859014

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-4-fluoro-1H-benzimidazole?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-4-fluoro-1H-benzimidazole (CID 60977992) is 2-(3,5-dimethoxyphenyl)-4-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-4-fluoro-1H-benzimidazole?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-4-fluoro-1H-benzimidazole is COc1cc(OC)cc(-c2nc3c(F)cccc3[nH]2)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-4-fluoro-1H-benzimidazole?
The InChIKey is XDKWJOBFTNOXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-19-10-6-9(7-11(8-10)20-2)15-17-13-5-3-4-12(16)14(13)18-15/h3-8H,1-2H3,(H,17,18).
What are the key properties of 2-(3,5-dimethoxyphenyl)-4-fluoro-1H-benzimidazole?
2-(3,5-dimethoxyphenyl)-4-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-(3,5-dimethoxyphenyl)-4-fluoro-1H-benzimidazole is sourced from PubChem (CID 60977992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).