ethyl 4-[[1-[(5-ethoxycarbonylfuran-2-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate

C23H28N4O5 — CID 22009363

IUPACethyl 4-[[1-[(5-ethoxycarbonylfuran-2-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)c1ccc(Cn2c(NC3CCN(C(=O)OCC)CC3)nc3ccccc32)o1
InChIInChI=1S/C23H28N4O5/c1-3-30-21(28)20-10-9-17(32-20)15-27-19-8-6-5-7-18(19)25-22(27)24-16-11-13-26(14-12-16)23(29)31-4-2/h5-10,16H,3-4,11-15H2,1-2H3,(H,24,25)
InChIKeyDMUXVZDUEFWULV-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.89
Rot. Bonds7

About ethyl 4-[[1-[(5-ethoxycarbonylfuran-2-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate

ethyl 4-[[1-[(5-ethoxycarbonylfuran-2-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate (PubChem CID 22009363) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is ethyl 4-[[1-[(5-ethoxycarbonylfuran-2-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[1-[(5-ethoxycarbonylfuran-2-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate
PubChem CID22009363
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC Nameethyl 4-[[1-[(5-ethoxycarbonylfuran-2-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)c1ccc(Cn2c(NC3CCN(C(=O)OCC)CC3)nc3ccccc32)o1
InChIInChI=1S/C23H28N4O5/c1-3-30-21(28)20-10-9-17(32-20)15-27-19-8-6-5-7-18(19)25-22(27)24-16-11-13-26(14-12-16)23(29)31-4-2/h5-10,16H,3-4,11-15H2,1-2H3,(H,24,25)
InChIKeyDMUXVZDUEFWULV-UHFFFAOYSA-N
XLogP3.89
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[[1-[(5-ethoxycarbonylfuran-2-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 3-[[1-[(5-ethoxycarbonylfuran-2-yl)methyl]benzimidazol-2-yl]amino]pyrrolidine-1-carboxylate
CID 19734400
bis(ethyl 4-[[1-[(5-methylfuran-2-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate);hydrate
CID 70358450
bis(2-[4-[[1-[(5-methylfuran-2-yl)methyl]benzimidazol-2-yl]amino]azepan-1-yl]ethanol);oxalic acid
CID 67895703
ethyl 4-[(4-oxo-3,1-benzoxazin-2-yl)amino]piperidine-1-carboxylate
CID 72702552
5-[[2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]furan-3-carboxylic acid
CID 67885256
ethyl 2-[(1-benzylbenzimidazol-2-yl)amino]azepane-1-carboxylate
CID 67895902
tert-butyl 4-[[1-[(3-butoxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate
CID 70320737
ethyl 4-[[3-[(3-methylfuran-2-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylate
CID 14677557
1-[(5-methylfuran-2-yl)methyl]-N-[1-[2-(pyrimidin-2-ylamino)ethyl]azepan-4-yl]benzimidazol-2-amine;oxalate
CID 19875923
tert-butyl 3-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate
CID 71634452
tert-butyl 4-[[1-[2-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate
CID 22711809
N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-amine
CID 22343470

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-[(5-ethoxycarbonylfuran-2-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[1-[(5-ethoxycarbonylfuran-2-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate (CID 22009363) is ethyl 4-[[1-[(5-ethoxycarbonylfuran-2-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[1-[(5-ethoxycarbonylfuran-2-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[1-[(5-ethoxycarbonylfuran-2-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate is CCOC(=O)c1ccc(Cn2c(NC3CCN(C(=O)OCC)CC3)nc3ccccc32)o1.
What is the InChIKey of ethyl 4-[[1-[(5-ethoxycarbonylfuran-2-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate?
The InChIKey is DMUXVZDUEFWULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-3-30-21(28)20-10-9-17(32-20)15-27-19-8-6-5-7-18(19)25-22(27)24-16-11-13-26(14-12-16)23(29)31-4-2/h5-10,16H,3-4,11-15H2,1-2H3,(H,24,25).
What are the key properties of ethyl 4-[[1-[(5-ethoxycarbonylfuran-2-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate?
ethyl 4-[[1-[(5-ethoxycarbonylfuran-2-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 440.50 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-[(5-ethoxycarbonylfuran-2-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 22009363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).