2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-6-methyl-1H-benzimidazole

C13H9ClFN3S — CID 79734645

IUPAC2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(Sc3ncc(Cl)cc3F)[nH]c2c1
InChIInChI=1S/C13H9ClFN3S/c1-7-2-3-10-11(4-7)18-13(17-10)19-12-9(15)5-8(14)6-16-12/h2-6H,1H3,(H,17,18)
InChIKeyZIDQMYAZPFRBCB-UHFFFAOYSA-N
MW293.75 g/mol
LogP4.21
Rot. Bonds2

About 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-6-methyl-1H-benzimidazole

2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-6-methyl-1H-benzimidazole (PubChem CID 79734645) has the molecular formula C13H9ClFN3S and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-6-methyl-1H-benzimidazole
PubChem CID79734645
Molecular FormulaC13H9ClFN3S
Molecular Weight293.75 g/mol
Exact Mass293.02
IUPAC Name2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(Sc3ncc(Cl)cc3F)[nH]c2c1
InChIInChI=1S/C13H9ClFN3S/c1-7-2-3-10-11(4-7)18-13(17-10)19-12-9(15)5-8(14)6-16-12/h2-6H,1H3,(H,17,18)
InChIKeyZIDQMYAZPFRBCB-UHFFFAOYSA-N
XLogP4.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-3-amine
CID 62874588
5-chloro-3-fluoro-2-(4-methylphenyl)sulfanylpyridine
CID 79733940
3,5-dichloro-N-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine
CID 102761461
2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-6-ethoxy-1H-benzimidazole
CID 79080951
2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one
CID 79734047
5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine
CID 62873903
1-[4-chloro-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 114864533
6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen
CID 144612475
3-fluoro-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline
CID 62874412
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidine-5-carbaldehyde
CID 113388625
(1R)-1-[3-fluoro-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
CID 63835956
5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline
CID 62874080

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-6-methyl-1H-benzimidazole?
The IUPAC name of 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-6-methyl-1H-benzimidazole (CID 79734645) is 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-6-methyl-1H-benzimidazole is Cc1ccc2nc(Sc3ncc(Cl)cc3F)[nH]c2c1.
What is the InChIKey of 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-6-methyl-1H-benzimidazole?
The InChIKey is ZIDQMYAZPFRBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3S/c1-7-2-3-10-11(4-7)18-13(17-10)19-12-9(15)5-8(14)6-16-12/h2-6H,1H3,(H,17,18).
What are the key properties of 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-6-methyl-1H-benzimidazole?
2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-6-methyl-1H-benzimidazole has a molecular weight of 293.75 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-6-methyl-1H-benzimidazole is sourced from PubChem (CID 79734645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).