bis[4-(2-aminoethyl)imidazol-1-yl] pentanedioate

C15H22N6O4 — CID 174988117

IUPACbis[4-(2-aminoethyl)imidazol-1-yl] pentanedioate
SMILESNCCc1cn(OC(=O)CCCC(=O)On2cnc(CCN)c2)cn1
InChIInChI=1S/C15H22N6O4/c16-6-4-12-8-20(10-18-12)24-14(22)2-1-3-15(23)25-21-9-13(5-7-17)19-11-21/h8-11H,1-7,16-17H2
InChIKeyQNTRNLBDXAVUFU-UHFFFAOYSA-N
MW350.38 g/mol
LogP-1.14
Rot. Bonds10

About bis[4-(2-aminoethyl)imidazol-1-yl] pentanedioate

bis[4-(2-aminoethyl)imidazol-1-yl] pentanedioate (PubChem CID 174988117) has the molecular formula C15H22N6O4 and a molecular weight of 350.38 g/mol. Its IUPAC name is bis[4-(2-aminoethyl)imidazol-1-yl] pentanedioate.

Molecular Properties

Compound Namebis[4-(2-aminoethyl)imidazol-1-yl] pentanedioate
PubChem CID174988117
Molecular FormulaC15H22N6O4
Molecular Weight350.38 g/mol
Exact Mass350.17
IUPAC Namebis[4-(2-aminoethyl)imidazol-1-yl] pentanedioate
SMILESNCCc1cn(OC(=O)CCCC(=O)On2cnc(CCN)c2)cn1
InChIInChI=1S/C15H22N6O4/c16-6-4-12-8-20(10-18-12)24-14(22)2-1-3-15(23)25-21-9-13(5-7-17)19-11-21/h8-11H,1-7,16-17H2
InChIKeyQNTRNLBDXAVUFU-UHFFFAOYSA-N
XLogP-1.14
TPSA140.28 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of bis[4-(2-aminoethyl)imidazol-1-yl] pentanedioate?
The IUPAC name of bis[4-(2-aminoethyl)imidazol-1-yl] pentanedioate (CID 174988117) is bis[4-(2-aminoethyl)imidazol-1-yl] pentanedioate.
What is the SMILES notation for bis[4-(2-aminoethyl)imidazol-1-yl] pentanedioate?
The canonical SMILES for bis[4-(2-aminoethyl)imidazol-1-yl] pentanedioate is NCCc1cn(OC(=O)CCCC(=O)On2cnc(CCN)c2)cn1.
What is the InChIKey of bis[4-(2-aminoethyl)imidazol-1-yl] pentanedioate?
The InChIKey is QNTRNLBDXAVUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O4/c16-6-4-12-8-20(10-18-12)24-14(22)2-1-3-15(23)25-21-9-13(5-7-17)19-11-21/h8-11H,1-7,16-17H2.
What are the key properties of bis[4-(2-aminoethyl)imidazol-1-yl] pentanedioate?
bis[4-(2-aminoethyl)imidazol-1-yl] pentanedioate has a molecular weight of 350.38 g/mol, XLogP of -1.14, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(2-aminoethyl)imidazol-1-yl] pentanedioate is sourced from PubChem (CID 174988117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).