1-(2-cyclohexylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid

C16H20N2O3 — CID 115541346

IUPAC1-(2-cyclohexylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1[nH]c(=O)n2CCC1CCCCC1
InChIInChI=1S/C16H20N2O3/c19-15(20)12-7-4-8-13-14(12)17-16(21)18(13)10-9-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,17,21)(H,19,20)
InChIKeyMXBRAEBBXNMVTG-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.00
Rot. Bonds4

About 1-(2-cyclohexylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid

1-(2-cyclohexylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid (PubChem CID 115541346) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
PubChem CID115541346
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(2-cyclohexylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1[nH]c(=O)n2CCC1CCCCC1
InChIInChI=1S/C16H20N2O3/c19-15(20)12-7-4-8-13-14(12)17-16(21)18(13)10-9-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,17,21)(H,19,20)
InChIKeyMXBRAEBBXNMVTG-UHFFFAOYSA-N
XLogP3.00
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid?
The IUPAC name of 1-(2-cyclohexylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid (CID 115541346) is 1-(2-cyclohexylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-cyclohexylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 1-(2-cyclohexylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid is O=C(O)c1cccc2c1[nH]c(=O)n2CCC1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid?
The InChIKey is MXBRAEBBXNMVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(20)12-7-4-8-13-14(12)17-16(21)18(13)10-9-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,17,21)(H,19,20).
What are the key properties of 1-(2-cyclohexylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid?
1-(2-cyclohexylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115541346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).