1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide

C25H25FN4O2 — CID 5307249

IUPAC1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C25H25FN4O2/c26-20-9-7-18(8-10-20)17-30-23-6-2-1-5-22(23)28-25(30)29-13-11-19(12-14-29)24(31)27-16-21-4-3-15-32-21/h1-10,15,19H,11-14,16-17H2,(H,27,31)
InChIKeyZNZWVYFXMLAVNW-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.35
Rot. Bonds6

About 1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide

1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 5307249) has the molecular formula C25H25FN4O2 and a molecular weight of 432.50 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID5307249
Molecular FormulaC25H25FN4O2
Molecular Weight432.50 g/mol
Exact Mass432.20
IUPAC Name1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C25H25FN4O2/c26-20-9-7-18(8-10-20)17-30-23-6-2-1-5-22(23)28-25(30)29-13-11-19(12-14-29)24(31)27-16-21-4-3-15-32-21/h1-10,15,19H,11-14,16-17H2,(H,27,31)
InChIKeyZNZWVYFXMLAVNW-UHFFFAOYSA-N
XLogP4.35
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide (CID 5307249) is 1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide is O=C(NCc1ccco1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is ZNZWVYFXMLAVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2/c26-20-9-7-18(8-10-20)17-30-23-6-2-1-5-22(23)28-25(30)29-13-11-19(12-14-29)24(31)27-16-21-4-3-15-32-21/h1-10,15,19H,11-14,16-17H2,(H,27,31).
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 432.50 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 5307249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).