sodium;hydride;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoic acid

C14H17N2NaO3 — CID 173424593

IUPACsodium;hydride;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoic acid
SMILESCC(C)C1(C)N=C(c2ccccc2C(=O)O)NC1=O.[H-].[Na+]
InChIInChI=1S/C14H16N2O3.Na.H/c1-8(2)14(3)13(19)15-11(16-14)9-6-4-5-7-10(9)12(17)18;;/h4-8H,1-3H3,(H,17,18)(H,15,16,19);;/q;+1;-1
InChIKeyNBTPBEZLPXYLNK-UHFFFAOYSA-N
MW284.29 g/mol
LogP-1.21
Rot. Bonds3

About sodium;hydride;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoic acid

sodium;hydride;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoic acid (PubChem CID 173424593) has the molecular formula C14H17N2NaO3 and a molecular weight of 284.29 g/mol. Its IUPAC name is sodium;hydride;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoic acid.

Molecular Properties

Compound Namesodium;hydride;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoic acid
PubChem CID173424593
Molecular FormulaC14H17N2NaO3
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Namesodium;hydride;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoic acid
SMILESCC(C)C1(C)N=C(c2ccccc2C(=O)O)NC1=O.[H-].[Na+]
InChIInChI=1S/C14H16N2O3.Na.H/c1-8(2)14(3)13(19)15-11(16-14)9-6-4-5-7-10(9)12(17)18;;/h4-8H,1-3H3,(H,17,18)(H,15,16,19);;/q;+1;-1
InChIKeyNBTPBEZLPXYLNK-UHFFFAOYSA-N
XLogP-1.21
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoic acid?
The IUPAC name of sodium;hydride;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoic acid (CID 173424593) is sodium;hydride;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoic acid.
What is the SMILES notation for sodium;hydride;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoic acid?
The canonical SMILES for sodium;hydride;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoic acid is CC(C)C1(C)N=C(c2ccccc2C(=O)O)NC1=O.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoic acid?
The InChIKey is NBTPBEZLPXYLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3.Na.H/c1-8(2)14(3)13(19)15-11(16-14)9-6-4-5-7-10(9)12(17)18;;/h4-8H,1-3H3,(H,17,18)(H,15,16,19);;/q;+1;-1.
What are the key properties of sodium;hydride;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoic acid?
sodium;hydride;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoic acid has a molecular weight of 284.29 g/mol, XLogP of -1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoic acid is sourced from PubChem (CID 173424593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).