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

C16H15FN2O2 — CID 46986195

IUPAC2-(2,4-dimethoxy-3-methylphenyl)-6-fluoro-1H-benzimidazole
SMILESCOc1ccc(-c2nc3ccc(F)cc3[nH]2)c(OC)c1C
InChIInChI=1S/C16H15FN2O2/c1-9-14(20-2)7-5-11(15(9)21-3)16-18-12-6-4-10(17)8-13(12)19-16/h4-8H,1-3H3,(H,18,19)
InChIKeyWOBUTAJQZYEZMZ-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.69
Rot. Bonds3

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

2-(2,4-dimethoxy-3-methylphenyl)-6-fluoro-1H-benzimidazole (PubChem CID 46986195) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-(2,4-dimethoxy-3-methylphenyl)-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(2,4-dimethoxy-3-methylphenyl)-6-fluoro-1H-benzimidazole
PubChem CID46986195
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name2-(2,4-dimethoxy-3-methylphenyl)-6-fluoro-1H-benzimidazole
SMILESCOc1ccc(-c2nc3ccc(F)cc3[nH]2)c(OC)c1C
InChIInChI=1S/C16H15FN2O2/c1-9-14(20-2)7-5-11(15(9)21-3)16-18-12-6-4-10(17)8-13(12)19-16/h4-8H,1-3H3,(H,18,19)
InChIKeyWOBUTAJQZYEZMZ-UHFFFAOYSA-N
XLogP3.69
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethoxyphenyl)-6-fluoro-1H-benzimidazole
CID 60979329
2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-5-fluoroaniline
CID 61364901
2-(4-bromo-2-methylphenyl)-6-fluoro-1H-benzimidazole
CID 64724742
2-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-6-fluoro-1H-benzimidazole
CID 136929715
8-methoxy-5-(6-methoxy-1H-benzimidazol-2-yl)-2-methylquinoline
CID 18784006
2-(4-fluoro-2-methylphenyl)-5,6-dimethyl-1H-benzimidazole
CID 112688356
2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110532927
2-(2,3-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 26370419
2-(1,5-dimethylpyrazol-4-yl)-6-fluoro-1H-benzimidazole
CID 60977715
2-[2-(difluoromethoxy)phenyl]-6-fluoro-1H-benzimidazole
CID 60981364
2-(2-bromo-3,4-dimethoxyphenyl)-5,6-dichloro-1H-benzimidazole
CID 110532332
6-fluoro-2-(2-fluoro-4,5-dimethyl-3-phenylmethoxyphenyl)-1H-benzimidazole
CID 170036536

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxy-3-methylphenyl)-6-fluoro-1H-benzimidazole?
The IUPAC name of 2-(2,4-dimethoxy-3-methylphenyl)-6-fluoro-1H-benzimidazole (CID 46986195) is 2-(2,4-dimethoxy-3-methylphenyl)-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-(2,4-dimethoxy-3-methylphenyl)-6-fluoro-1H-benzimidazole?
The canonical SMILES for 2-(2,4-dimethoxy-3-methylphenyl)-6-fluoro-1H-benzimidazole is COc1ccc(-c2nc3ccc(F)cc3[nH]2)c(OC)c1C.
What is the InChIKey of 2-(2,4-dimethoxy-3-methylphenyl)-6-fluoro-1H-benzimidazole?
The InChIKey is WOBUTAJQZYEZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-9-14(20-2)7-5-11(15(9)21-3)16-18-12-6-4-10(17)8-13(12)19-16/h4-8H,1-3H3,(H,18,19).
What are the key properties of 2-(2,4-dimethoxy-3-methylphenyl)-6-fluoro-1H-benzimidazole?
2-(2,4-dimethoxy-3-methylphenyl)-6-fluoro-1H-benzimidazole has a molecular weight of 286.31 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxy-3-methylphenyl)-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 46986195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).