calcium;4,5-dihydro-1H-imidazole;hydride

C3H8CaN2 — CID 174554076

IUPACcalcium;4,5-dihydro-1H-imidazole;hydride
SMILESC1=NCCN1.[Ca+2].[H-].[H-]
InChIInChI=1S/C3H6N2.Ca.2H/c1-2-5-3-4-1;;;/h3H,1-2H2,(H,4,5);;;/q;+2;2*-1
InChIKeySXAPKFOWNUYPQJ-UHFFFAOYSA-N
MW112.19 g/mol
LogP-0.54
Rot. Bonds

About calcium;4,5-dihydro-1H-imidazole;hydride

calcium;4,5-dihydro-1H-imidazole;hydride (PubChem CID 174554076) has the molecular formula C3H8CaN2 and a molecular weight of 112.19 g/mol. Its IUPAC name is calcium;4,5-dihydro-1H-imidazole;hydride.

Molecular Properties

Compound Namecalcium;4,5-dihydro-1H-imidazole;hydride
PubChem CID174554076
Molecular FormulaC3H8CaN2
Molecular Weight112.19 g/mol
Exact Mass112.03
IUPAC Namecalcium;4,5-dihydro-1H-imidazole;hydride
SMILESC1=NCCN1.[Ca+2].[H-].[H-]
InChIInChI=1S/C3H6N2.Ca.2H/c1-2-5-3-4-1;;;/h3H,1-2H2,(H,4,5);;;/q;+2;2*-1
InChIKeySXAPKFOWNUYPQJ-UHFFFAOYSA-N
XLogP-0.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.19
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of calcium;4,5-dihydro-1H-imidazole;hydride?
The IUPAC name of calcium;4,5-dihydro-1H-imidazole;hydride (CID 174554076) is calcium;4,5-dihydro-1H-imidazole;hydride.
What is the SMILES notation for calcium;4,5-dihydro-1H-imidazole;hydride?
The canonical SMILES for calcium;4,5-dihydro-1H-imidazole;hydride is C1=NCCN1.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;4,5-dihydro-1H-imidazole;hydride?
The InChIKey is SXAPKFOWNUYPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2.Ca.2H/c1-2-5-3-4-1;;;/h3H,1-2H2,(H,4,5);;;/q;+2;2*-1.
What are the key properties of calcium;4,5-dihydro-1H-imidazole;hydride?
calcium;4,5-dihydro-1H-imidazole;hydride has a molecular weight of 112.19 g/mol, XLogP of -0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;4,5-dihydro-1H-imidazole;hydride is sourced from PubChem (CID 174554076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).