3-(oxetan-3-ylmethyl)benzimidazole-5-carboxylic acid

C12H12N2O3 — CID 151354727

IUPAC3-(oxetan-3-ylmethyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2ncn(CC3COC3)c2c1
InChIInChI=1S/C12H12N2O3/c15-12(16)9-1-2-10-11(3-9)14(7-13-10)4-8-5-17-6-8/h1-3,7-8H,4-6H2,(H,15,16)
InChIKeyONFUFKSJRNNOTR-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.38
Rot. Bonds3

About 3-(oxetan-3-ylmethyl)benzimidazole-5-carboxylic acid

3-(oxetan-3-ylmethyl)benzimidazole-5-carboxylic acid (PubChem CID 151354727) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-(oxetan-3-ylmethyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(oxetan-3-ylmethyl)benzimidazole-5-carboxylic acid
PubChem CID151354727
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-(oxetan-3-ylmethyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2ncn(CC3COC3)c2c1
InChIInChI=1S/C12H12N2O3/c15-12(16)9-1-2-10-11(3-9)14(7-13-10)4-8-5-17-6-8/h1-3,7-8H,4-6H2,(H,15,16)
InChIKeyONFUFKSJRNNOTR-UHFFFAOYSA-N
XLogP1.38
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclobutylmethyl)benzimidazole-5-carboxylic acid
CID 82791377
3-(1,4-dioxan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 82791302
3-(oxan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 82791226
3-(carboxymethyl)benzimidazole-5-carboxylic acid
CID 16763194
3-[(4-ethylmorpholin-2-yl)methyl]benzimidazole-5-carboxylic acid
CID 114400969
3-(2-phenylethyl)benzimidazole-5-carboxylic acid
CID 82791472
3-[(4-chlorophenyl)methyl]benzimidazole-5-carboxylic acid
CID 59172196
3-(3-methyl-2-propan-2-ylbutyl)benzimidazole-5-carboxylic acid
CID 102907252
3-(furan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 82790758
3-(oxolan-3-yl)benzimidazole-5-carboxylic acid
CID 82790331
3-(5,5,5-trifluoropentyl)benzimidazole-5-carboxylic acid
CID 82790494
3-(2-methyl-2-methylsulfonylpropyl)benzimidazole-5-carboxylic acid
CID 82791415

Frequently Asked Questions

What is the IUPAC name of 3-(oxetan-3-ylmethyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 3-(oxetan-3-ylmethyl)benzimidazole-5-carboxylic acid (CID 151354727) is 3-(oxetan-3-ylmethyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(oxetan-3-ylmethyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(oxetan-3-ylmethyl)benzimidazole-5-carboxylic acid is O=C(O)c1ccc2ncn(CC3COC3)c2c1.
What is the InChIKey of 3-(oxetan-3-ylmethyl)benzimidazole-5-carboxylic acid?
The InChIKey is ONFUFKSJRNNOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-12(16)9-1-2-10-11(3-9)14(7-13-10)4-8-5-17-6-8/h1-3,7-8H,4-6H2,(H,15,16).
What are the key properties of 3-(oxetan-3-ylmethyl)benzimidazole-5-carboxylic acid?
3-(oxetan-3-ylmethyl)benzimidazole-5-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxetan-3-ylmethyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 151354727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).