calcium;1H-benzimidazole;hydride

C7H8CaN2 — CID 174891856

IUPACcalcium;1H-benzimidazole;hydride
SMILES[Ca+2].[H-].[H-].c1ccc2[nH]cnc2c1
InChIInChI=1S/C7H6N2.Ca.2H/c1-2-4-7-6(3-1)8-5-9-7;;;/h1-5H,(H,8,9);;;/q;+2;2*-1
InChIKeyVDXYWRNOJQZWED-UHFFFAOYSA-N
MW160.23 g/mol
LogP1.41
Rot. Bonds

About calcium;1H-benzimidazole;hydride

calcium;1H-benzimidazole;hydride (PubChem CID 174891856) has the molecular formula C7H8CaN2 and a molecular weight of 160.23 g/mol. Its IUPAC name is calcium;1H-benzimidazole;hydride.

Molecular Properties

Compound Namecalcium;1H-benzimidazole;hydride
PubChem CID174891856
Molecular FormulaC7H8CaN2
Molecular Weight160.23 g/mol
Exact Mass160.03
IUPAC Namecalcium;1H-benzimidazole;hydride
SMILES[Ca+2].[H-].[H-].c1ccc2[nH]cnc2c1
InChIInChI=1S/C7H6N2.Ca.2H/c1-2-4-7-6(3-1)8-5-9-7;;;/h1-5H,(H,8,9);;;/q;+2;2*-1
InChIKeyVDXYWRNOJQZWED-UHFFFAOYSA-N
XLogP1.41
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

disilver;1H-benzimidazole
CID 21437015
bis(1H-benzimidazole);hydrate
CID 23293238
bis(1H-benzimidazole);hydrochloride
CID 163717509
1H-benzimidazole;manganese
CID 158140840
1H-benzimidazole;zinc
CID 162235320
acetylene;bis(1H-benzimidazole)
CID 143659644
1H-benzimidazole;cyclopropene
CID 175111337
bis(1H-benzimidazole);dichlorocopper
CID 11984972
1H-benzimidazole;ethane;molecular hydrogen
CID 142113314
1H-benzimidazole;propane;hydroiodide
CID 172791937
1H-benzimidazole;piperidine
CID 66784764
benzene-1,3,5-triol;1H-benzimidazole
CID 129097298

Frequently Asked Questions

What is the IUPAC name of calcium;1H-benzimidazole;hydride?
The IUPAC name of calcium;1H-benzimidazole;hydride (CID 174891856) is calcium;1H-benzimidazole;hydride.
What is the SMILES notation for calcium;1H-benzimidazole;hydride?
The canonical SMILES for calcium;1H-benzimidazole;hydride is [Ca+2].[H-].[H-].c1ccc2[nH]cnc2c1.
What is the InChIKey of calcium;1H-benzimidazole;hydride?
The InChIKey is VDXYWRNOJQZWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.Ca.2H/c1-2-4-7-6(3-1)8-5-9-7;;;/h1-5H,(H,8,9);;;/q;+2;2*-1.
What are the key properties of calcium;1H-benzimidazole;hydride?
calcium;1H-benzimidazole;hydride has a molecular weight of 160.23 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;1H-benzimidazole;hydride is sourced from PubChem (CID 174891856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).