2-oxo-3-(1-thiophen-2-ylpropan-2-yl)-1H-benzimidazole-5-carboxylic acid

C15H14N2O3S — CID 82769505

IUPAC2-oxo-3-(1-thiophen-2-ylpropan-2-yl)-1H-benzimidazole-5-carboxylic acid
SMILESCC(Cc1cccs1)n1c(=O)[nH]c2ccc(C(=O)O)cc21
InChIInChI=1S/C15H14N2O3S/c1-9(7-11-3-2-6-21-11)17-13-8-10(14(18)19)4-5-12(13)16-15(17)20/h2-6,8-9H,7H2,1H3,(H,16,20)(H,18,19)
InChIKeyOGYZWDFTHSHSPW-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.89
Rot. Bonds4

About 2-oxo-3-(1-thiophen-2-ylpropan-2-yl)-1H-benzimidazole-5-carboxylic acid

2-oxo-3-(1-thiophen-2-ylpropan-2-yl)-1H-benzimidazole-5-carboxylic acid (PubChem CID 82769505) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-oxo-3-(1-thiophen-2-ylpropan-2-yl)-1H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-oxo-3-(1-thiophen-2-ylpropan-2-yl)-1H-benzimidazole-5-carboxylic acid
PubChem CID82769505
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name2-oxo-3-(1-thiophen-2-ylpropan-2-yl)-1H-benzimidazole-5-carboxylic acid
SMILESCC(Cc1cccs1)n1c(=O)[nH]c2ccc(C(=O)O)cc21
InChIInChI=1S/C15H14N2O3S/c1-9(7-11-3-2-6-21-11)17-13-8-10(14(18)19)4-5-12(13)16-15(17)20/h2-6,8-9H,7H2,1H3,(H,16,20)(H,18,19)
InChIKeyOGYZWDFTHSHSPW-UHFFFAOYSA-N
XLogP2.89
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methoxypropan-2-yl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82781664
3-(2-methylpentan-3-yl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82784325
1-(1-methylsulfonylpropan-2-yl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 64643795
2-oxo-1-(1-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxylic acid
CID 43524092
3-(dimethylamino)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 83015711
4-hexan-2-yl-2,3-dioxo-1H-quinoxaline-6-carboxylic acid
CID 82770622
3-(2-ethylphenyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82770328
1-(1-ethoxy-1-oxopropan-2-yl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 61498727
2,5-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)pyrrole
CID 60723209
4-(1-amino-1-oxopropan-2-yl)-2,3-dioxo-1H-quinoxaline-6-carboxylic acid
CID 82784459
1-(1-amino-3-methyl-1-oxobutan-2-yl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 106345749
5-bromo-6-fluoro-3-(1-thiophen-2-ylpropan-2-yl)-1H-benzimidazole-2-thione
CID 116737714

Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-(1-thiophen-2-ylpropan-2-yl)-1H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-oxo-3-(1-thiophen-2-ylpropan-2-yl)-1H-benzimidazole-5-carboxylic acid (CID 82769505) is 2-oxo-3-(1-thiophen-2-ylpropan-2-yl)-1H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-oxo-3-(1-thiophen-2-ylpropan-2-yl)-1H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-oxo-3-(1-thiophen-2-ylpropan-2-yl)-1H-benzimidazole-5-carboxylic acid is CC(Cc1cccs1)n1c(=O)[nH]c2ccc(C(=O)O)cc21.
What is the InChIKey of 2-oxo-3-(1-thiophen-2-ylpropan-2-yl)-1H-benzimidazole-5-carboxylic acid?
The InChIKey is OGYZWDFTHSHSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-9(7-11-3-2-6-21-11)17-13-8-10(14(18)19)4-5-12(13)16-15(17)20/h2-6,8-9H,7H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-oxo-3-(1-thiophen-2-ylpropan-2-yl)-1H-benzimidazole-5-carboxylic acid?
2-oxo-3-(1-thiophen-2-ylpropan-2-yl)-1H-benzimidazole-5-carboxylic acid has a molecular weight of 302.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-(1-thiophen-2-ylpropan-2-yl)-1H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82769505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).