sodium;1H-benzimidazole;2-hydroxypropanoate

C10H11N2NaO3 — CID 175014007

IUPACsodium;1H-benzimidazole;2-hydroxypropanoate
SMILESCC(O)C(=O)[O-].[Na+].c1ccc2[nH]cnc2c1
InChIInChI=1S/C7H6N2.C3H6O3.Na/c1-2-4-7-6(3-1)8-5-9-7;1-2(4)3(5)6;/h1-5H,(H,8,9);2,4H,1H3,(H,5,6);/q;;+1/p-1
InChIKeyLBJRBICVMUBYSQ-UHFFFAOYSA-M
MW230.20 g/mol
LogP-3.32
Rot. Bonds1

About sodium;1H-benzimidazole;2-hydroxypropanoate

sodium;1H-benzimidazole;2-hydroxypropanoate (PubChem CID 175014007) has the molecular formula C10H11N2NaO3 and a molecular weight of 230.20 g/mol. Its IUPAC name is sodium;1H-benzimidazole;2-hydroxypropanoate.

Molecular Properties

Compound Namesodium;1H-benzimidazole;2-hydroxypropanoate
PubChem CID175014007
Molecular FormulaC10H11N2NaO3
Molecular Weight230.20 g/mol
Exact Mass230.07
IUPAC Namesodium;1H-benzimidazole;2-hydroxypropanoate
SMILESCC(O)C(=O)[O-].[Na+].c1ccc2[nH]cnc2c1
InChIInChI=1S/C7H6N2.C3H6O3.Na/c1-2-4-7-6(3-1)8-5-9-7;1-2(4)3(5)6;/h1-5H,(H,8,9);2,4H,1H3,(H,5,6);/q;;+1/p-1
InChIKeyLBJRBICVMUBYSQ-UHFFFAOYSA-M
XLogP-3.32
TPSA89.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 5-3.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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disilver;1H-benzimidazole
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bis(1H-benzimidazole);hydrate
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bis(1H-benzimidazole);hydrochloride
CID 163717509
1H-benzimidazole;manganese
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1H-benzimidazole;zinc
CID 162235320
1H-benzimidazole;methyl carbamate
CID 18504441
1H-benzimidazole;ethane;molecular hydrogen
CID 142113314
acetylene;bis(1H-benzimidazole)
CID 143659644
calcium;1H-benzimidazole;hydride
CID 174891856
1H-benzimidazole;propane-1,2-diamine
CID 174972252
2-aminoacetamide;1H-benzimidazole
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Frequently Asked Questions

What is the IUPAC name of sodium;1H-benzimidazole;2-hydroxypropanoate?
The IUPAC name of sodium;1H-benzimidazole;2-hydroxypropanoate (CID 175014007) is sodium;1H-benzimidazole;2-hydroxypropanoate.
What is the SMILES notation for sodium;1H-benzimidazole;2-hydroxypropanoate?
The canonical SMILES for sodium;1H-benzimidazole;2-hydroxypropanoate is CC(O)C(=O)[O-].[Na+].c1ccc2[nH]cnc2c1.
What is the InChIKey of sodium;1H-benzimidazole;2-hydroxypropanoate?
The InChIKey is LBJRBICVMUBYSQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6N2.C3H6O3.Na/c1-2-4-7-6(3-1)8-5-9-7;1-2(4)3(5)6;/h1-5H,(H,8,9);2,4H,1H3,(H,5,6);/q;;+1/p-1.
What are the key properties of sodium;1H-benzimidazole;2-hydroxypropanoate?
sodium;1H-benzimidazole;2-hydroxypropanoate has a molecular weight of 230.20 g/mol, XLogP of -3.32, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1H-benzimidazole;2-hydroxypropanoate is sourced from PubChem (CID 175014007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).