N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidine-4-carboxamide

C26H28N4O2 — CID 42096765

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidine-4-carboxamide
SMILESCCc1ccc(CN2CCC(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)o1
InChIInChI=1S/C26H28N4O2/c1-2-21-11-12-22(32-21)17-30-15-13-19(14-16-30)26(31)27-20-9-7-18(8-10-20)25-28-23-5-3-4-6-24(23)29-25/h3-12,19H,2,13-17H2,1H3,(H,27,31)(H,28,29)
InChIKeyASGLSISOVKAMLK-UHFFFAOYSA-N
MW428.54 g/mol
LogP5.24
Rot. Bonds6

About N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidine-4-carboxamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 42096765) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidine-4-carboxamide
PubChem CID42096765
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidine-4-carboxamide
SMILESCCc1ccc(CN2CCC(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)o1
InChIInChI=1S/C26H28N4O2/c1-2-21-11-12-22(32-21)17-30-15-13-19(14-16-30)26(31)27-20-9-7-18(8-10-20)25-28-23-5-3-4-6-24(23)29-25/h3-12,19H,2,13-17H2,1H3,(H,27,31)(H,28,29)
InChIKeyASGLSISOVKAMLK-UHFFFAOYSA-N
XLogP5.24
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidine-4-carboxamide (CID 42096765) is N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidine-4-carboxamide is CCc1ccc(CN2CCC(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)CC2)o1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is ASGLSISOVKAMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-2-21-11-12-22(32-21)17-30-15-13-19(14-16-30)26(31)27-20-9-7-18(8-10-20)25-28-23-5-3-4-6-24(23)29-25/h3-12,19H,2,13-17H2,1H3,(H,27,31)(H,28,29).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidine-4-carboxamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(5-ethylfuran-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 42096765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).