3-[1-[3-(ethoxymethyl)-1-benzofuran-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one

C24H25N3O4 — CID 47094524

IUPAC3-[1-[3-(ethoxymethyl)-1-benzofuran-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCOCc1c(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)oc2ccccc12
InChIInChI=1S/C24H25N3O4/c1-2-30-15-18-17-7-3-6-10-21(17)31-22(18)23(28)26-13-11-16(12-14-26)27-20-9-5-4-8-19(20)25-24(27)29/h3-10,16H,2,11-15H2,1H3,(H,25,29)
InChIKeyLVNHRYRNQXXNDR-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.09
Rot. Bonds5

About 3-[1-[3-(ethoxymethyl)-1-benzofuran-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[3-(ethoxymethyl)-1-benzofuran-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 47094524) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 3-[1-[3-(ethoxymethyl)-1-benzofuran-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[3-(ethoxymethyl)-1-benzofuran-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID47094524
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name3-[1-[3-(ethoxymethyl)-1-benzofuran-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCOCc1c(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)oc2ccccc12
InChIInChI=1S/C24H25N3O4/c1-2-30-15-18-17-7-3-6-10-21(17)31-22(18)23(28)26-13-11-16(12-14-26)27-20-9-5-4-8-19(20)25-24(27)29/h3-10,16H,2,11-15H2,1H3,(H,25,29)
InChIKeyLVNHRYRNQXXNDR-UHFFFAOYSA-N
XLogP4.09
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 51245657
3-[1-(2-amino-3-methylpentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 119696098
ethyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate
CID 24969821
methyl 3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoate
CID 134069333
3-[1-[2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 136512317
3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735719
benzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59578112
3-[1-(2-bromobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 44756975
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 27184460
3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55431766
N-(cyclopentylmethyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 172967857
3-[1-(4-methylsulfonylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735717

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(ethoxymethyl)-1-benzofuran-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[3-(ethoxymethyl)-1-benzofuran-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 47094524) is 3-[1-[3-(ethoxymethyl)-1-benzofuran-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[3-(ethoxymethyl)-1-benzofuran-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[3-(ethoxymethyl)-1-benzofuran-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one is CCOCc1c(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)oc2ccccc12.
What is the InChIKey of 3-[1-[3-(ethoxymethyl)-1-benzofuran-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is LVNHRYRNQXXNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-2-30-15-18-17-7-3-6-10-21(17)31-22(18)23(28)26-13-11-16(12-14-26)27-20-9-5-4-8-19(20)25-24(27)29/h3-10,16H,2,11-15H2,1H3,(H,25,29).
What are the key properties of 3-[1-[3-(ethoxymethyl)-1-benzofuran-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[3-(ethoxymethyl)-1-benzofuran-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 419.48 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(ethoxymethyl)-1-benzofuran-2-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 47094524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).