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

C18H16FN5O2S — CID 18792744

IUPAC6-fluoro-5-imidazol-1-yl-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
SMILESCOc1ccnc(CS(=O)c2nc3cc(-n4ccnc4)c(F)cc3[nH]2)c1C
InChIInChI=1S/C18H16FN5O2S/c1-11-15(21-4-3-17(11)26-2)9-27(25)18-22-13-7-12(19)16(8-14(13)23-18)24-6-5-20-10-24/h3-8,10H,9H2,1-2H3,(H,22,23)
InChIKeyGPPSHVQJNWXTCQ-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.91
Rot. Bonds5

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

6-fluoro-5-imidazol-1-yl-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole (PubChem CID 18792744) has the molecular formula C18H16FN5O2S and a molecular weight of 385.42 g/mol. Its IUPAC name is 6-fluoro-5-imidazol-1-yl-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-5-imidazol-1-yl-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
PubChem CID18792744
Molecular FormulaC18H16FN5O2S
Molecular Weight385.42 g/mol
Exact Mass385.10
IUPAC Name6-fluoro-5-imidazol-1-yl-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
SMILESCOc1ccnc(CS(=O)c2nc3cc(-n4ccnc4)c(F)cc3[nH]2)c1C
InChIInChI=1S/C18H16FN5O2S/c1-11-15(21-4-3-17(11)26-2)9-27(25)18-22-13-7-12(19)16(8-14(13)23-18)24-6-5-20-10-24/h3-8,10H,9H2,1-2H3,(H,22,23)
InChIKeyGPPSHVQJNWXTCQ-UHFFFAOYSA-N
XLogP2.91
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.91
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-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole?
The IUPAC name of 6-fluoro-5-imidazol-1-yl-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole (CID 18792744) is 6-fluoro-5-imidazol-1-yl-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-5-imidazol-1-yl-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole?
The canonical SMILES for 6-fluoro-5-imidazol-1-yl-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole is COc1ccnc(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-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole?
The InChIKey is GPPSHVQJNWXTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2S/c1-11-15(21-4-3-17(11)26-2)9-27(25)18-22-13-7-12(19)16(8-14(13)23-18)24-6-5-20-10-24/h3-8,10H,9H2,1-2H3,(H,22,23).
What are the key properties of 6-fluoro-5-imidazol-1-yl-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole?
6-fluoro-5-imidazol-1-yl-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole has a molecular weight of 385.42 g/mol, XLogP of 2.91, 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-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole is sourced from PubChem (CID 18792744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).