1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone

C22H24FN3O2 — CID 44522179

IUPAC1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)N2CCC(n3c(C)nc4ccc(F)cc43)CC2)c1
InChIInChI=1S/C22H24FN3O2/c1-15-24-20-7-6-17(23)14-21(20)26(15)18-8-10-25(11-9-18)22(27)13-16-4-3-5-19(12-16)28-2/h3-7,12,14,18H,8-11,13H2,1-2H3
InChIKeyJWPDWTQSEVDUEU-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.90
Rot. Bonds4

About 1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone

1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone (PubChem CID 44522179) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
PubChem CID44522179
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
SMILESCOc1cccc(CC(=O)N2CCC(n3c(C)nc4ccc(F)cc43)CC2)c1
InChIInChI=1S/C22H24FN3O2/c1-15-24-20-7-6-17(23)14-21(20)26(15)18-8-10-25(11-9-18)22(27)13-16-4-3-5-19(12-16)28-2/h3-7,12,14,18H,8-11,13H2,1-2H3
InChIKeyJWPDWTQSEVDUEU-UHFFFAOYSA-N
XLogP3.90
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone?
The IUPAC name of 1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone (CID 44522179) is 1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone?
The canonical SMILES for 1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone is COc1cccc(CC(=O)N2CCC(n3c(C)nc4ccc(F)cc43)CC2)c1.
What is the InChIKey of 1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone?
The InChIKey is JWPDWTQSEVDUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-15-24-20-7-6-17(23)14-21(20)26(15)18-8-10-25(11-9-18)22(27)13-16-4-3-5-19(12-16)28-2/h3-7,12,14,18H,8-11,13H2,1-2H3.
What are the key properties of 1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone?
1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone has a molecular weight of 381.45 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 44522179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).