5-(4,5-dicyanoimidazol-1-yl)pentanoic acid

C10H10N4O2 — CID 112595008

IUPAC5-(4,5-dicyanoimidazol-1-yl)pentanoic acid
SMILESN#Cc1ncn(CCCCC(=O)O)c1C#N
InChIInChI=1S/C10H10N4O2/c11-5-8-9(6-12)14(7-13-8)4-2-1-3-10(15)16/h7H,1-4H2,(H,15,16)
InChIKeyGWNZFUVZPRBZBV-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.88
Rot. Bonds5

About 5-(4,5-dicyanoimidazol-1-yl)pentanoic acid

5-(4,5-dicyanoimidazol-1-yl)pentanoic acid (PubChem CID 112595008) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 5-(4,5-dicyanoimidazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(4,5-dicyanoimidazol-1-yl)pentanoic acid
PubChem CID112595008
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name5-(4,5-dicyanoimidazol-1-yl)pentanoic acid
SMILESN#Cc1ncn(CCCCC(=O)O)c1C#N
InChIInChI=1S/C10H10N4O2/c11-5-8-9(6-12)14(7-13-8)4-2-1-3-10(15)16/h7H,1-4H2,(H,15,16)
InChIKeyGWNZFUVZPRBZBV-UHFFFAOYSA-N
XLogP0.88
TPSA102.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbutanamide
CID 112595697
1-(3-oxobutyl)imidazole-4,5-dicarbonitrile
CID 112595254
1-(2-chloroethyl)imidazole-4,5-dicarbonitrile
CID 112595041
1-hept-6-enylimidazole-4,5-dicarbonitrile
CID 107010176
1-[3-(methylamino)propyl]imidazole-4,5-dicarbonitrile
CID 112595329
1-(5-amino-5-cyanohexyl)imidazole-4,5-dicarbonitrile
CID 112595359
1-(3-propan-2-yloxypropyl)imidazole-4,5-dicarbonitrile
CID 75508781
1-[3-(cyclopropylamino)propyl]imidazole-4,5-dicarbonitrile
CID 112595336
3-[2-(4,5-dicyanoimidazol-1-yl)ethoxy]benzoic acid
CID 115944669
5-[(4,5-dicyanoimidazol-1-yl)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630421
1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4,5-dicarbonitrile
CID 112595685
1-prop-2-ynylimidazole-4,5-dicarbonitrile
CID 112595691

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dicyanoimidazol-1-yl)pentanoic acid?
The IUPAC name of 5-(4,5-dicyanoimidazol-1-yl)pentanoic acid (CID 112595008) is 5-(4,5-dicyanoimidazol-1-yl)pentanoic acid.
What is the SMILES notation for 5-(4,5-dicyanoimidazol-1-yl)pentanoic acid?
The canonical SMILES for 5-(4,5-dicyanoimidazol-1-yl)pentanoic acid is N#Cc1ncn(CCCCC(=O)O)c1C#N.
What is the InChIKey of 5-(4,5-dicyanoimidazol-1-yl)pentanoic acid?
The InChIKey is GWNZFUVZPRBZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c11-5-8-9(6-12)14(7-13-8)4-2-1-3-10(15)16/h7H,1-4H2,(H,15,16).
What are the key properties of 5-(4,5-dicyanoimidazol-1-yl)pentanoic acid?
5-(4,5-dicyanoimidazol-1-yl)pentanoic acid has a molecular weight of 218.22 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dicyanoimidazol-1-yl)pentanoic acid is sourced from PubChem (CID 112595008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).