1-(3,5-difluoro-2-pyridinyl)-2-methylbenzimidazole

C13H9F2N3 — CID 112676678

IUPAC1-(3,5-difluoro-2-pyridinyl)-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1-c1ncc(F)cc1F
InChIInChI=1S/C13H9F2N3/c1-8-17-11-4-2-3-5-12(11)18(8)13-10(15)6-9(14)7-16-13/h2-7H,1H3
InChIKeyOTQAXORWPHWVOO-UHFFFAOYSA-N
MW245.23 g/mol
LogP3.01
Rot. Bonds1

About 1-(3,5-difluoro-2-pyridinyl)-2-methylbenzimidazole

1-(3,5-difluoro-2-pyridinyl)-2-methylbenzimidazole (PubChem CID 112676678) has the molecular formula C13H9F2N3 and a molecular weight of 245.23 g/mol. Its IUPAC name is 1-(3,5-difluoro-2-pyridinyl)-2-methylbenzimidazole.

Molecular Properties

Compound Name1-(3,5-difluoro-2-pyridinyl)-2-methylbenzimidazole
PubChem CID112676678
Molecular FormulaC13H9F2N3
Molecular Weight245.23 g/mol
Exact Mass245.08
IUPAC Name1-(3,5-difluoro-2-pyridinyl)-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1-c1ncc(F)cc1F
InChIInChI=1S/C13H9F2N3/c1-8-17-11-4-2-3-5-12(11)18(8)13-10(15)6-9(14)7-16-13/h2-7H,1H3
InChIKeyOTQAXORWPHWVOO-UHFFFAOYSA-N
XLogP3.01
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylbenzimidazole
CID 123693539
1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-methylbenzimidazole
CID 106797317
2-(2-methylbenzimidazol-1-yl)quinoxaline
CID 79751969
1-(3-bromo-2-pyridinyl)-2-methylbenzimidazole
CID 79753555
2-methyl-1-(5-methyl-2-pyridinyl)benzimidazole
CID 79753476
1-[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole
CID 22507050
ethane;2-methyl-1-(6-methylpyrimidin-4-yl)benzimidazole
CID 91611201
1-(6-methoxy-2-pyridinyl)-2-methylbenzimidazole
CID 79754204
1-(4-fluoro-2-nitrophenyl)-2-methylbenzimidazole
CID 79752931
1-(5-bromo-4-methoxypyrimidin-2-yl)-2-methylbenzimidazole
CID 106999991
6-fluoro-2-methyl-1-phenylbenzimidazole
CID 25216870
2-methyl-1-(4-methylpyrimidin-2-yl)benzimidazole
CID 79754202

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-2-pyridinyl)-2-methylbenzimidazole?
The IUPAC name of 1-(3,5-difluoro-2-pyridinyl)-2-methylbenzimidazole (CID 112676678) is 1-(3,5-difluoro-2-pyridinyl)-2-methylbenzimidazole.
What is the SMILES notation for 1-(3,5-difluoro-2-pyridinyl)-2-methylbenzimidazole?
The canonical SMILES for 1-(3,5-difluoro-2-pyridinyl)-2-methylbenzimidazole is Cc1nc2ccccc2n1-c1ncc(F)cc1F.
What is the InChIKey of 1-(3,5-difluoro-2-pyridinyl)-2-methylbenzimidazole?
The InChIKey is OTQAXORWPHWVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3/c1-8-17-11-4-2-3-5-12(11)18(8)13-10(15)6-9(14)7-16-13/h2-7H,1H3.
What are the key properties of 1-(3,5-difluoro-2-pyridinyl)-2-methylbenzimidazole?
1-(3,5-difluoro-2-pyridinyl)-2-methylbenzimidazole has a molecular weight of 245.23 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-2-pyridinyl)-2-methylbenzimidazole is sourced from PubChem (CID 112676678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).