1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide

C24H23FN4O2 — CID 25287120

IUPAC1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2ccco2)c1)C1CCN(Cc2nc3ccc(F)cc3[nH]2)CC1
InChIInChI=1S/C24H23FN4O2/c25-18-6-7-20-21(14-18)28-23(27-20)15-29-10-8-16(9-11-29)24(30)26-19-4-1-3-17(13-19)22-5-2-12-31-22/h1-7,12-14,16H,8-11,15H2,(H,26,30)(H,27,28)
InChIKeyVAVBXKQTDAVHKU-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.81
Rot. Bonds5

About 1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide

1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide (PubChem CID 25287120) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide
PubChem CID25287120
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2ccco2)c1)C1CCN(Cc2nc3ccc(F)cc3[nH]2)CC1
InChIInChI=1S/C24H23FN4O2/c25-18-6-7-20-21(14-18)28-23(27-20)15-29-10-8-16(9-11-29)24(30)26-19-4-1-3-17(13-19)22-5-2-12-31-22/h1-7,12-14,16H,8-11,15H2,(H,26,30)(H,27,28)
InChIKeyVAVBXKQTDAVHKU-UHFFFAOYSA-N
XLogP4.81
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide (CID 25287120) is 1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide is O=C(Nc1cccc(-c2ccco2)c1)C1CCN(Cc2nc3ccc(F)cc3[nH]2)CC1.
What is the InChIKey of 1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is VAVBXKQTDAVHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c25-18-6-7-20-21(14-18)28-23(27-20)15-29-10-8-16(9-11-29)24(30)26-19-4-1-3-17(13-19)22-5-2-12-31-22/h1-7,12-14,16H,8-11,15H2,(H,26,30)(H,27,28).
What are the key properties of 1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide?
1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 418.47 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-[3-(furan-2-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 25287120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).