1-[6-(4-chlorophenyl)-2-pyridinyl]-5,6-difluoro-2-methylbenzimidazole

C19H12ClF2N3 — CID 118094571

IUPAC1-[6-(4-chlorophenyl)-2-pyridinyl]-5,6-difluoro-2-methylbenzimidazole
SMILESCc1nc2cc(F)c(F)cc2n1-c1cccc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H12ClF2N3/c1-11-23-17-9-14(21)15(22)10-18(17)25(11)19-4-2-3-16(24-19)12-5-7-13(20)8-6-12/h2-10H,1H3
InChIKeyUEDWDZQMFNHGOD-UHFFFAOYSA-N
MW355.78 g/mol
LogP5.33
Rot. Bonds2

About 1-[6-(4-chlorophenyl)-2-pyridinyl]-5,6-difluoro-2-methylbenzimidazole

1-[6-(4-chlorophenyl)-2-pyridinyl]-5,6-difluoro-2-methylbenzimidazole (PubChem CID 118094571) has the molecular formula C19H12ClF2N3 and a molecular weight of 355.78 g/mol. Its IUPAC name is 1-[6-(4-chlorophenyl)-2-pyridinyl]-5,6-difluoro-2-methylbenzimidazole.

Molecular Properties

Compound Name1-[6-(4-chlorophenyl)-2-pyridinyl]-5,6-difluoro-2-methylbenzimidazole
PubChem CID118094571
Molecular FormulaC19H12ClF2N3
Molecular Weight355.78 g/mol
Exact Mass355.07
IUPAC Name1-[6-(4-chlorophenyl)-2-pyridinyl]-5,6-difluoro-2-methylbenzimidazole
SMILESCc1nc2cc(F)c(F)cc2n1-c1cccc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H12ClF2N3/c1-11-23-17-9-14(21)15(22)10-18(17)25(11)19-4-2-3-16(24-19)12-5-7-13(20)8-6-12/h2-10H,1H3
InChIKeyUEDWDZQMFNHGOD-UHFFFAOYSA-N
XLogP5.33
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.78
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(4-chlorophenyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyridine-2,4-diamine
CID 118101521
6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyridine-2,4-diamine
CID 118101514
2-(3,4-difluorophenyl)-6-methylpyridine
CID 67475001
2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)-6-methylbenzimidazole
CID 103593303
5-chloro-2-(3-fluorophenyl)-1-methylbenzimidazole
CID 47272714
2-(2,5-dimethylpyrrol-1-yl)-6-(4-fluoro-2,3-dimethylphenyl)pyridine
CID 12985928
5,7-bis(6-phenyl-2-pyridinyl)indolo[2,3-b]carbazole
CID 58038356
6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 73427235
1-(4-chloro-2-fluorophenyl)-2-methylbenzimidazol-5-amine
CID 55080364
3-[9-(6-phenyl-2-pyridinyl)carbazol-3-yl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 130355722
6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-3-fluoro-2-N-[4-(fluoromethyl)phenyl]pyridine-2,4-diamine
CID 122580349
1-(2,4-dichlorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592709

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenyl)-2-pyridinyl]-5,6-difluoro-2-methylbenzimidazole?
The IUPAC name of 1-[6-(4-chlorophenyl)-2-pyridinyl]-5,6-difluoro-2-methylbenzimidazole (CID 118094571) is 1-[6-(4-chlorophenyl)-2-pyridinyl]-5,6-difluoro-2-methylbenzimidazole.
What is the SMILES notation for 1-[6-(4-chlorophenyl)-2-pyridinyl]-5,6-difluoro-2-methylbenzimidazole?
The canonical SMILES for 1-[6-(4-chlorophenyl)-2-pyridinyl]-5,6-difluoro-2-methylbenzimidazole is Cc1nc2cc(F)c(F)cc2n1-c1cccc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-[6-(4-chlorophenyl)-2-pyridinyl]-5,6-difluoro-2-methylbenzimidazole?
The InChIKey is UEDWDZQMFNHGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF2N3/c1-11-23-17-9-14(21)15(22)10-18(17)25(11)19-4-2-3-16(24-19)12-5-7-13(20)8-6-12/h2-10H,1H3.
What are the key properties of 1-[6-(4-chlorophenyl)-2-pyridinyl]-5,6-difluoro-2-methylbenzimidazole?
1-[6-(4-chlorophenyl)-2-pyridinyl]-5,6-difluoro-2-methylbenzimidazole has a molecular weight of 355.78 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chlorophenyl)-2-pyridinyl]-5,6-difluoro-2-methylbenzimidazole is sourced from PubChem (CID 118094571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).