ethyl 5-[[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl-(furan-2-ylmethyl)amino]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate

C19H23N5O7 — CID 2171730

IUPACethyl 5-[[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl-(furan-2-ylmethyl)amino]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate
SMILESCCOC(=O)c1[nH]c(=O)[nH]c1CN(Cc1ccco1)Cc1[nH]c(=O)[nH]c1C(=O)OCC
InChIInChI=1S/C19H23N5O7/c1-3-29-16(25)14-12(20-18(27)22-14)9-24(8-11-6-5-7-31-11)10-13-15(17(26)30-4-2)23-19(28)21-13/h5-7H,3-4,8-10H2,1-2H3,(H2,20,22,27)(H2,21,23,28)
InChIKeyBQJOLLGYMIOKQC-UHFFFAOYSA-N
MW433.42 g/mol
LogP0.87
Rot. Bonds10

About ethyl 5-[[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl-(furan-2-ylmethyl)amino]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate

ethyl 5-[[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl-(furan-2-ylmethyl)amino]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate (PubChem CID 2171730) has the molecular formula C19H23N5O7 and a molecular weight of 433.42 g/mol. Its IUPAC name is ethyl 5-[[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl-(furan-2-ylmethyl)amino]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl-(furan-2-ylmethyl)amino]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate
PubChem CID2171730
Molecular FormulaC19H23N5O7
Molecular Weight433.42 g/mol
Exact Mass433.16
IUPAC Nameethyl 5-[[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl-(furan-2-ylmethyl)amino]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate
SMILESCCOC(=O)c1[nH]c(=O)[nH]c1CN(Cc1ccco1)Cc1[nH]c(=O)[nH]c1C(=O)OCC
InChIInChI=1S/C19H23N5O7/c1-3-29-16(25)14-12(20-18(27)22-14)9-24(8-11-6-5-7-31-11)10-13-15(17(26)30-4-2)23-19(28)21-13/h5-7H,3-4,8-10H2,1-2H3,(H2,20,22,27)(H2,21,23,28)
InChIKeyBQJOLLGYMIOKQC-UHFFFAOYSA-N
XLogP0.87
TPSA166.28 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 50.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze ethyl 5-[[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl-(furan-2-ylmethyl)amino]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl-(furan-2-ylmethyl)amino]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate?
The IUPAC name of ethyl 5-[[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl-(furan-2-ylmethyl)amino]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate (CID 2171730) is ethyl 5-[[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl-(furan-2-ylmethyl)amino]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl-(furan-2-ylmethyl)amino]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl-(furan-2-ylmethyl)amino]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate is CCOC(=O)c1[nH]c(=O)[nH]c1CN(Cc1ccco1)Cc1[nH]c(=O)[nH]c1C(=O)OCC.
What is the InChIKey of ethyl 5-[[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl-(furan-2-ylmethyl)amino]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate?
The InChIKey is BQJOLLGYMIOKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O7/c1-3-29-16(25)14-12(20-18(27)22-14)9-24(8-11-6-5-7-31-11)10-13-15(17(26)30-4-2)23-19(28)21-13/h5-7H,3-4,8-10H2,1-2H3,(H2,20,22,27)(H2,21,23,28).
What are the key properties of ethyl 5-[[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl-(furan-2-ylmethyl)amino]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate?
ethyl 5-[[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl-(furan-2-ylmethyl)amino]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate has a molecular weight of 433.42 g/mol, XLogP of 0.87, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[(5-ethoxycarbonyl-2-oxo-1,3-dihydroimidazol-4-yl)methyl-(furan-2-ylmethyl)amino]methyl]-2-oxo-1,3-dihydroimidazole-4-carboxylate is sourced from PubChem (CID 2171730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).