2-(5-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole

C13H10FN3 — CID 104639104

IUPAC2-(5-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(-c3ccc(F)cn3)[nH]c2c1
InChIInChI=1S/C13H10FN3/c1-8-2-4-10-12(6-8)17-13(16-10)11-5-3-9(14)7-15-11/h2-7H,1H3,(H,16,17)
InChIKeyBDMCEPCCNCUSIS-UHFFFAOYSA-N
MW227.24 g/mol
LogP3.07
Rot. Bonds1

About 2-(5-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole

2-(5-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole (PubChem CID 104639104) has the molecular formula C13H10FN3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole
PubChem CID104639104
Molecular FormulaC13H10FN3
Molecular Weight227.24 g/mol
Exact Mass227.09
IUPAC Name2-(5-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(-c3ccc(F)cn3)[nH]c2c1
InChIInChI=1S/C13H10FN3/c1-8-2-4-10-12(6-8)17-13(16-10)11-5-3-9(14)7-15-11/h2-7H,1H3,(H,16,17)
InChIKeyBDMCEPCCNCUSIS-UHFFFAOYSA-N
XLogP3.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-pyridinyl)-6-methyl-1H-benzimidazole
CID 62958312
[2-(5-fluoro-2-pyridinyl)-3H-benzimidazol-5-yl]methanamine
CID 113436420
2-(5-fluoro-2-pyridinyl)-3H-benzimidazole-5-carboxylic acid
CID 104639134
2-(5-chloro-2-pyridinyl)-6-fluoro-1H-benzimidazole
CID 64724542
2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole
CID 66602195
6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
CID 3532439
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
[2-[5-[3-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]propoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol
CID 66602165
6-methyl-2-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]-1H-benzimidazole
CID 158164125
6-methyl-2-pyrimidin-5-yl-1H-benzimidazole
CID 102922101
6-chloro-2-[6-(5-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole
CID 69234463
5-chloro-4-fluoro-2-(5-fluoro-2-pyridinyl)-1H-benzimidazole
CID 114271734

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole (CID 104639104) is 2-(5-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole is Cc1ccc2nc(-c3ccc(F)cn3)[nH]c2c1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole?
The InChIKey is BDMCEPCCNCUSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3/c1-8-2-4-10-12(6-8)17-13(16-10)11-5-3-9(14)7-15-11/h2-7H,1H3,(H,16,17).
What are the key properties of 2-(5-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole?
2-(5-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole has a molecular weight of 227.24 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole is sourced from PubChem (CID 104639104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).