3-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]-1H-benzimidazol-2-one

C20H26N4O2 — CID 10450804

IUPAC3-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCNCc1ccc(CN2CCCCC2)o1
InChIInChI=1S/C20H26N4O2/c25-20-22-18-6-2-3-7-19(18)24(20)13-10-21-14-16-8-9-17(26-16)15-23-11-4-1-5-12-23/h2-3,6-9,21H,1,4-5,10-15H2,(H,22,25)
InChIKeyLQDVCSIWQVRECJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.70
Rot. Bonds7

About 3-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]-1H-benzimidazol-2-one

3-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]-1H-benzimidazol-2-one (PubChem CID 10450804) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]-1H-benzimidazol-2-one
PubChem CID10450804
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name3-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCNCc1ccc(CN2CCCCC2)o1
InChIInChI=1S/C20H26N4O2/c25-20-22-18-6-2-3-7-19(18)24(20)13-10-21-14-16-8-9-17(26-16)15-23-11-4-1-5-12-23/h2-3,6-9,21H,1,4-5,10-15H2,(H,22,25)
InChIKeyLQDVCSIWQVRECJ-UHFFFAOYSA-N
XLogP2.70
TPSA66.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]-1H-benzimidazol-2-one (CID 10450804) is 3-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1CCNCc1ccc(CN2CCCCC2)o1.
What is the InChIKey of 3-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]-1H-benzimidazol-2-one?
The InChIKey is LQDVCSIWQVRECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c25-20-22-18-6-2-3-7-19(18)24(20)13-10-21-14-16-8-9-17(26-16)15-23-11-4-1-5-12-23/h2-3,6-9,21H,1,4-5,10-15H2,(H,22,25).
What are the key properties of 3-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]-1H-benzimidazol-2-one?
3-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]-1H-benzimidazol-2-one has a molecular weight of 354.45 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 10450804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).