2-(3,4-diethoxyphenyl)-6-fluoro-1H-benzimidazole

C17H17FN2O2 — CID 103597133

IUPAC2-(3,4-diethoxyphenyl)-6-fluoro-1H-benzimidazole
SMILESCCOc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1OCC
InChIInChI=1S/C17H17FN2O2/c1-3-21-15-8-5-11(9-16(15)22-4-2)17-19-13-7-6-12(18)10-14(13)20-17/h5-10H,3-4H2,1-2H3,(H,19,20)
InChIKeyBUQWSDUNDOLAOR-UHFFFAOYSA-N
MW300.33 g/mol
LogP4.17
Rot. Bonds5

About 2-(3,4-diethoxyphenyl)-6-fluoro-1H-benzimidazole

2-(3,4-diethoxyphenyl)-6-fluoro-1H-benzimidazole (PubChem CID 103597133) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(3,4-diethoxyphenyl)-6-fluoro-1H-benzimidazole
PubChem CID103597133
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name2-(3,4-diethoxyphenyl)-6-fluoro-1H-benzimidazole
SMILESCCOc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1OCC
InChIInChI=1S/C17H17FN2O2/c1-3-21-15-8-5-11(9-16(15)22-4-2)17-19-13-7-6-12(18)10-14(13)20-17/h5-10H,3-4H2,1-2H3,(H,19,20)
InChIKeyBUQWSDUNDOLAOR-UHFFFAOYSA-N
XLogP4.17
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1H-benzimidazole
CID 19224198
6-fluoro-2-(2-methyl-4-pyridinyl)-1H-benzimidazole
CID 106753306
6-fluoro-2-(4-methylsulfanylphenyl)-1H-benzimidazole
CID 112730258
5-(6-fluoro-1H-benzimidazol-2-yl)-2-methylaniline
CID 54919597
4-(6-fluoro-1H-benzimidazol-2-yl)aniline
CID 22387237
2-(4-chloro-3-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 113227780
ethyl 4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenoxy]butanoate
CID 103597145
2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole
CID 136929715
2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-1H-benzimidazole
CID 19224191
2-(3-bromo-4-ethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110533986
2-bromo-4-(6-fluoro-1H-benzimidazol-2-yl)phenol
CID 136837301
6-fluoro-2-pyrimidin-5-yl-1H-benzimidazole
CID 102922110

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)-6-fluoro-1H-benzimidazole?
The IUPAC name of 2-(3,4-diethoxyphenyl)-6-fluoro-1H-benzimidazole (CID 103597133) is 2-(3,4-diethoxyphenyl)-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-(3,4-diethoxyphenyl)-6-fluoro-1H-benzimidazole?
The canonical SMILES for 2-(3,4-diethoxyphenyl)-6-fluoro-1H-benzimidazole is CCOc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1OCC.
What is the InChIKey of 2-(3,4-diethoxyphenyl)-6-fluoro-1H-benzimidazole?
The InChIKey is BUQWSDUNDOLAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-3-21-15-8-5-11(9-16(15)22-4-2)17-19-13-7-6-12(18)10-14(13)20-17/h5-10H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 2-(3,4-diethoxyphenyl)-6-fluoro-1H-benzimidazole?
2-(3,4-diethoxyphenyl)-6-fluoro-1H-benzimidazole has a molecular weight of 300.33 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyphenyl)-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 103597133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).