1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidine-4-carboxamide

C27H28FN5O2 — CID 44580429

IUPAC1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCCOc2ccc(-n3c(-c4ccccn4)nc4cc(F)ccc43)cc2)CC1
InChIInChI=1S/C27H28FN5O2/c28-20-5-10-25-24(18-20)31-27(23-4-1-2-13-30-23)33(25)21-6-8-22(9-7-21)35-17-3-14-32-15-11-19(12-16-32)26(29)34/h1-2,4-10,13,18-19H,3,11-12,14-17H2,(H2,29,34)
InChIKeyCDYYTBCHMDFDIN-UHFFFAOYSA-N
MW473.55 g/mol
LogP4.19
Rot. Bonds8

About 1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidine-4-carboxamide

1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidine-4-carboxamide (PubChem CID 44580429) has the molecular formula C27H28FN5O2 and a molecular weight of 473.55 g/mol. Its IUPAC name is 1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidine-4-carboxamide
PubChem CID44580429
Molecular FormulaC27H28FN5O2
Molecular Weight473.55 g/mol
Exact Mass473.22
IUPAC Name1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCCOc2ccc(-n3c(-c4ccccn4)nc4cc(F)ccc43)cc2)CC1
InChIInChI=1S/C27H28FN5O2/c28-20-5-10-25-24(18-20)31-27(23-4-1-2-13-30-23)33(25)21-6-8-22(9-7-21)35-17-3-14-32-15-11-19(12-16-32)26(29)34/h1-2,4-10,13,18-19H,3,11-12,14-17H2,(H2,29,34)
InChIKeyCDYYTBCHMDFDIN-UHFFFAOYSA-N
XLogP4.19
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidine-4-carboxamide (CID 44580429) is 1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidine-4-carboxamide is NC(=O)C1CCN(CCCOc2ccc(-n3c(-c4ccccn4)nc4cc(F)ccc43)cc2)CC1.
What is the InChIKey of 1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidine-4-carboxamide?
The InChIKey is CDYYTBCHMDFDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O2/c28-20-5-10-25-24(18-20)31-27(23-4-1-2-13-30-23)33(25)21-6-8-22(9-7-21)35-17-3-14-32-15-11-19(12-16-32)26(29)34/h1-2,4-10,13,18-19H,3,11-12,14-17H2,(H2,29,34).
What are the key properties of 1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidine-4-carboxamide?
1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidine-4-carboxamide has a molecular weight of 473.55 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(5-fluoro-2-pyridin-2-ylbenzimidazol-1-yl)phenoxy]propyl]piperidine-4-carboxamide is sourced from PubChem (CID 44580429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).