2-[[(3S,4R)-4-fluoro-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole

C20H23FN4O2 — CID 75410619

IUPAC2-[[(3S,4R)-4-fluoro-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole
SMILESCOc1cccc(CN2C[C@@H](F)[C@@H](OCc3nc4ccccc4n3C)C2)n1
InChIInChI=1S/C20H23FN4O2/c1-24-17-8-4-3-7-16(17)23-19(24)13-27-18-12-25(11-15(18)21)10-14-6-5-9-20(22-14)26-2/h3-9,15,18H,10-13H2,1-2H3/t15-,18+/m1/s1
InChIKeyGLXUXDJKZPRZKB-QAPCUYQASA-N
MW370.43 g/mol
LogP2.72
Rot. Bonds6

About 2-[[(3S,4R)-4-fluoro-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole

2-[[(3S,4R)-4-fluoro-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole (PubChem CID 75410619) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-[[(3S,4R)-4-fluoro-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[[(3S,4R)-4-fluoro-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole
PubChem CID75410619
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name2-[[(3S,4R)-4-fluoro-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole
SMILESCOc1cccc(CN2C[C@@H](F)[C@@H](OCc3nc4ccccc4n3C)C2)n1
InChIInChI=1S/C20H23FN4O2/c1-24-17-8-4-3-7-16(17)23-19(24)13-27-18-12-25(11-15(18)21)10-14-6-5-9-20(22-14)26-2/h3-9,15,18H,10-13H2,1-2H3/t15-,18+/m1/s1
InChIKeyGLXUXDJKZPRZKB-QAPCUYQASA-N
XLogP2.72
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S,4R)-4-fluoro-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole?
The IUPAC name of 2-[[(3S,4R)-4-fluoro-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole (CID 75410619) is 2-[[(3S,4R)-4-fluoro-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[[(3S,4R)-4-fluoro-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole?
The canonical SMILES for 2-[[(3S,4R)-4-fluoro-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole is COc1cccc(CN2C[C@@H](F)[C@@H](OCc3nc4ccccc4n3C)C2)n1.
What is the InChIKey of 2-[[(3S,4R)-4-fluoro-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole?
The InChIKey is GLXUXDJKZPRZKB-QAPCUYQASA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-24-17-8-4-3-7-16(17)23-19(24)13-27-18-12-25(11-15(18)21)10-14-6-5-9-20(22-14)26-2/h3-9,15,18H,10-13H2,1-2H3/t15-,18+/m1/s1.
What are the key properties of 2-[[(3S,4R)-4-fluoro-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole?
2-[[(3S,4R)-4-fluoro-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole has a molecular weight of 370.43 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S,4R)-4-fluoro-1-[(6-methoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole is sourced from PubChem (CID 75410619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).