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

C15H13FN2O2 — CID 168555207

IUPAC2-(3-fluoro-4,5-dimethoxyphenyl)-1H-benzimidazole
SMILESCOc1cc(-c2nc3ccccc3[nH]2)cc(F)c1OC
InChIInChI=1S/C15H13FN2O2/c1-19-13-8-9(7-10(16)14(13)20-2)15-17-11-5-3-4-6-12(11)18-15/h3-8H,1-2H3,(H,17,18)
InChIKeyUALXNIKFOMRFLF-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.39
Rot. Bonds3

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

2-(3-fluoro-4,5-dimethoxyphenyl)-1H-benzimidazole (PubChem CID 168555207) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-(3-fluoro-4,5-dimethoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-fluoro-4,5-dimethoxyphenyl)-1H-benzimidazole
PubChem CID168555207
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name2-(3-fluoro-4,5-dimethoxyphenyl)-1H-benzimidazole
SMILESCOc1cc(-c2nc3ccccc3[nH]2)cc(F)c1OC
InChIInChI=1S/C15H13FN2O2/c1-19-13-8-9(7-10(16)14(13)20-2)15-17-11-5-3-4-6-12(11)18-15/h3-8H,1-2H3,(H,17,18)
InChIKeyUALXNIKFOMRFLF-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-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole
CID 110535118
4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenol
CID 136663190
[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenyl] acetate
CID 168554773
6-methyl-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
CID 924719
2-(3-bromo-4-hexoxy-5-methoxyphenyl)-1H-benzimidazole
CID 19224134
2-[4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenoxy]acetonitrile
CID 168555061
2-(7-methoxy-1,3-benzodioxol-5-yl)-1H-benzimidazole
CID 146024410
4-[(2-fluorophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
CID 67700995
2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole
CID 168554009
methyl 2-[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenoxy]acetate
CID 168555121
2-[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenoxy]acetamide
CID 168555021
methyl 2-[4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenoxy]acetate
CID 168555138

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4,5-dimethoxyphenyl)-1H-benzimidazole?
The IUPAC name of 2-(3-fluoro-4,5-dimethoxyphenyl)-1H-benzimidazole (CID 168555207) is 2-(3-fluoro-4,5-dimethoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(3-fluoro-4,5-dimethoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 2-(3-fluoro-4,5-dimethoxyphenyl)-1H-benzimidazole is COc1cc(-c2nc3ccccc3[nH]2)cc(F)c1OC.
What is the InChIKey of 2-(3-fluoro-4,5-dimethoxyphenyl)-1H-benzimidazole?
The InChIKey is UALXNIKFOMRFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-19-13-8-9(7-10(16)14(13)20-2)15-17-11-5-3-4-6-12(11)18-15/h3-8H,1-2H3,(H,17,18).
What are the key properties of 2-(3-fluoro-4,5-dimethoxyphenyl)-1H-benzimidazole?
2-(3-fluoro-4,5-dimethoxyphenyl)-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-fluoro-4,5-dimethoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 168555207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).