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

C19H21FN4OS — CID 18792726

IUPAC6-fluoro-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfanyl]-5-pyrrolidin-1-yl-1H-benzimidazole
SMILESCOc1ccnc(CSc2nc3cc(N4CCCC4)c(F)cc3[nH]2)c1C
InChIInChI=1S/C19H21FN4OS/c1-12-16(21-6-5-18(12)25-2)11-26-19-22-14-9-13(20)17(10-15(14)23-19)24-7-3-4-8-24/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,22,23)
InChIKeyUGFZVOSAGNVBAF-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.31
Rot. Bonds5

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

6-fluoro-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfanyl]-5-pyrrolidin-1-yl-1H-benzimidazole (PubChem CID 18792726) has the molecular formula C19H21FN4OS and a molecular weight of 372.47 g/mol. Its IUPAC name is 6-fluoro-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfanyl]-5-pyrrolidin-1-yl-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfanyl]-5-pyrrolidin-1-yl-1H-benzimidazole
PubChem CID18792726
Molecular FormulaC19H21FN4OS
Molecular Weight372.47 g/mol
Exact Mass372.14
IUPAC Name6-fluoro-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfanyl]-5-pyrrolidin-1-yl-1H-benzimidazole
SMILESCOc1ccnc(CSc2nc3cc(N4CCCC4)c(F)cc3[nH]2)c1C
InChIInChI=1S/C19H21FN4OS/c1-12-16(21-6-5-18(12)25-2)11-26-19-22-14-9-13(20)17(10-15(14)23-19)24-7-3-4-8-24/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,22,23)
InChIKeyUGFZVOSAGNVBAF-UHFFFAOYSA-N
XLogP4.31
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfanyl]-5-pyrrolidin-1-yl-1H-benzimidazole?
The IUPAC name of 6-fluoro-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfanyl]-5-pyrrolidin-1-yl-1H-benzimidazole (CID 18792726) is 6-fluoro-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfanyl]-5-pyrrolidin-1-yl-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfanyl]-5-pyrrolidin-1-yl-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfanyl]-5-pyrrolidin-1-yl-1H-benzimidazole is COc1ccnc(CSc2nc3cc(N4CCCC4)c(F)cc3[nH]2)c1C.
What is the InChIKey of 6-fluoro-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfanyl]-5-pyrrolidin-1-yl-1H-benzimidazole?
The InChIKey is UGFZVOSAGNVBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4OS/c1-12-16(21-6-5-18(12)25-2)11-26-19-22-14-9-13(20)17(10-15(14)23-19)24-7-3-4-8-24/h5-6,9-10H,3-4,7-8,11H2,1-2H3,(H,22,23).
What are the key properties of 6-fluoro-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfanyl]-5-pyrrolidin-1-yl-1H-benzimidazole?
6-fluoro-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfanyl]-5-pyrrolidin-1-yl-1H-benzimidazole has a molecular weight of 372.47 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfanyl]-5-pyrrolidin-1-yl-1H-benzimidazole is sourced from PubChem (CID 18792726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).