6-fluoro-5-imidazol-1-yl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole

C19H18FN5O2S — CID 18792718

IUPAC6-fluoro-5-imidazol-1-yl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
SMILESCOc1c(C)cnc(CS(=O)c2nc3cc(-n4ccnc4)c(F)cc3[nH]2)c1C
InChIInChI=1S/C19H18FN5O2S/c1-11-8-22-16(12(2)18(11)27-3)9-28(26)19-23-14-6-13(20)17(7-15(14)24-19)25-5-4-21-10-25/h4-8,10H,9H2,1-3H3,(H,23,24)
InChIKeyQTRNXUBXQLMXLM-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.22
Rot. Bonds5

About 6-fluoro-5-imidazol-1-yl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole

6-fluoro-5-imidazol-1-yl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole (PubChem CID 18792718) has the molecular formula C19H18FN5O2S and a molecular weight of 399.45 g/mol. Its IUPAC name is 6-fluoro-5-imidazol-1-yl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-5-imidazol-1-yl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
PubChem CID18792718
Molecular FormulaC19H18FN5O2S
Molecular Weight399.45 g/mol
Exact Mass399.12
IUPAC Name6-fluoro-5-imidazol-1-yl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
SMILESCOc1c(C)cnc(CS(=O)c2nc3cc(-n4ccnc4)c(F)cc3[nH]2)c1C
InChIInChI=1S/C19H18FN5O2S/c1-11-8-22-16(12(2)18(11)27-3)9-28(26)19-23-14-6-13(20)17(7-15(14)24-19)25-5-4-21-10-25/h4-8,10H,9H2,1-3H3,(H,23,24)
InChIKeyQTRNXUBXQLMXLM-UHFFFAOYSA-N
XLogP3.22
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-imidazol-1-yl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole?
The IUPAC name of 6-fluoro-5-imidazol-1-yl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole (CID 18792718) is 6-fluoro-5-imidazol-1-yl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-5-imidazol-1-yl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole?
The canonical SMILES for 6-fluoro-5-imidazol-1-yl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole is COc1c(C)cnc(CS(=O)c2nc3cc(-n4ccnc4)c(F)cc3[nH]2)c1C.
What is the InChIKey of 6-fluoro-5-imidazol-1-yl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole?
The InChIKey is QTRNXUBXQLMXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2S/c1-11-8-22-16(12(2)18(11)27-3)9-28(26)19-23-14-6-13(20)17(7-15(14)24-19)25-5-4-21-10-25/h4-8,10H,9H2,1-3H3,(H,23,24).
What are the key properties of 6-fluoro-5-imidazol-1-yl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole?
6-fluoro-5-imidazol-1-yl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole has a molecular weight of 399.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-imidazol-1-yl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole is sourced from PubChem (CID 18792718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).