1H-imidazol-1-ium perchlorate

C3H5ClN2O4 — CID 87649563

IUPAC1H-imidazol-1-ium perchlorate
SMILESC1=C[NH2+]C=N1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C3H4N2.ClHO4/c1-2-5-3-4-1;2-1(3,4)5/h1-3H,(H,4,5);(H,2,3,4,5)
InChIKeyVOMDEAFEGGHOEP-UHFFFAOYSA-N
MW168.54 g/mol
LogP-5.69
Rot. Bonds

About 1H-imidazol-1-ium perchlorate

1H-imidazol-1-ium perchlorate (PubChem CID 87649563) has the molecular formula C3H5ClN2O4 and a molecular weight of 168.54 g/mol. Its IUPAC name is 1H-imidazol-1-ium perchlorate.

Molecular Properties

Compound Name1H-imidazol-1-ium perchlorate
PubChem CID87649563
Molecular FormulaC3H5ClN2O4
Molecular Weight168.54 g/mol
Exact Mass167.99
IUPAC Name1H-imidazol-1-ium perchlorate
SMILESC1=C[NH2+]C=N1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C3H4N2.ClHO4/c1-2-5-3-4-1;2-1(3,4)5/h1-3H,(H,4,5);(H,2,3,4,5)
InChIKeyVOMDEAFEGGHOEP-UHFFFAOYSA-N
XLogP-5.69
TPSA121.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.54
LogP ≤ 5-5.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-1-ium perchlorate?
The IUPAC name of 1H-imidazol-1-ium perchlorate (CID 87649563) is 1H-imidazol-1-ium perchlorate.
What is the SMILES notation for 1H-imidazol-1-ium perchlorate?
The canonical SMILES for 1H-imidazol-1-ium perchlorate is C1=C[NH2+]C=N1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 1H-imidazol-1-ium perchlorate?
The InChIKey is VOMDEAFEGGHOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.ClHO4/c1-2-5-3-4-1;2-1(3,4)5/h1-3H,(H,4,5);(H,2,3,4,5).
What are the key properties of 1H-imidazol-1-ium perchlorate?
1H-imidazol-1-ium perchlorate has a molecular weight of 168.54 g/mol, XLogP of -5.69, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-1-ium perchlorate is sourced from PubChem (CID 87649563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).