bis(1H-imidazole);propanoic acid

C9H14N4O2 — CID 23342234

IUPACbis(1H-imidazole);propanoic acid
SMILESCCC(=O)O.c1c[nH]cn1.c1c[nH]cn1
InChIInChI=1S/2C3H4N2.C3H6O2/c2*1-2-5-3-4-1;1-2-3(4)5/h2*1-3H,(H,4,5);2H2,1H3,(H,4,5)
InChIKeyVHDFPWVJMQRKBV-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.30
Rot. Bonds1

About bis(1H-imidazole);propanoic acid

bis(1H-imidazole);propanoic acid (PubChem CID 23342234) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is bis(1H-imidazole);propanoic acid.

Molecular Properties

Compound Namebis(1H-imidazole);propanoic acid
PubChem CID23342234
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Namebis(1H-imidazole);propanoic acid
SMILESCCC(=O)O.c1c[nH]cn1.c1c[nH]cn1
InChIInChI=1S/2C3H4N2.C3H6O2/c2*1-2-5-3-4-1;1-2-3(4)5/h2*1-3H,(H,4,5);2H2,1H3,(H,4,5)
InChIKeyVHDFPWVJMQRKBV-UHFFFAOYSA-N
XLogP1.30
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(1H-imidazole);propanoic acid?
The IUPAC name of bis(1H-imidazole);propanoic acid (CID 23342234) is bis(1H-imidazole);propanoic acid.
What is the SMILES notation for bis(1H-imidazole);propanoic acid?
The canonical SMILES for bis(1H-imidazole);propanoic acid is CCC(=O)O.c1c[nH]cn1.c1c[nH]cn1.
What is the InChIKey of bis(1H-imidazole);propanoic acid?
The InChIKey is VHDFPWVJMQRKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H4N2.C3H6O2/c2*1-2-5-3-4-1;1-2-3(4)5/h2*1-3H,(H,4,5);2H2,1H3,(H,4,5).
What are the key properties of bis(1H-imidazole);propanoic acid?
bis(1H-imidazole);propanoic acid has a molecular weight of 210.24 g/mol, XLogP of 1.30, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-imidazole);propanoic acid is sourced from PubChem (CID 23342234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).