2-(1H-benzimidazol-2-yl)acetate

C9H7N2O2- — CID 6955878

IUPAC2-(1H-benzimidazol-2-yl)acetate
SMILESO=C([O-])Cc1nc2ccccc2[nH]1
InChIInChI=1S/C9H8N2O2/c12-9(13)5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H,10,11)(H,12,13)/p-1
InChIKeyGFTPLFVZKMIYAP-UHFFFAOYSA-M
MW175.17 g/mol
LogP-0.14
Rot. Bonds2

About 2-(1H-benzimidazol-2-yl)acetate

2-(1H-benzimidazol-2-yl)acetate (PubChem CID 6955878) has the molecular formula C9H7N2O2- and a molecular weight of 175.17 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)acetate.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)acetate
PubChem CID6955878
Molecular FormulaC9H7N2O2-
Molecular Weight175.17 g/mol
Exact Mass175.05
IUPAC Name2-(1H-benzimidazol-2-yl)acetate
SMILESO=C([O-])Cc1nc2ccccc2[nH]1
InChIInChI=1S/C9H8N2O2/c12-9(13)5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H,10,11)(H,12,13)/p-1
InChIKeyGFTPLFVZKMIYAP-UHFFFAOYSA-M
XLogP-0.14
TPSA68.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.17
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tetrakis(2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole);tetrakis(cobalt(2+));ethanol;octaacetate
CID 139070067
2-(1H-benzimidazol-2-yl)-1-(4-nitrophenyl)ethanone
CID 3749366
2-(2-methylidenebut-3-enyl)-1H-benzimidazole
CID 163413437
4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutanoate
CID 6997429
[[2-(1H-benzimidazol-2-yl)acetyl]amino]methylphosphonic acid
CID 139908110
2-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 173161796
zinc;bis(1H-benzimidazol-2-ylmethanol);dinitrate;hydrate
CID 139071089
2-(1H-benzimidazol-2-yl)-N-butylacetamide
CID 3852846
(NZ)-N-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]hydroxylamine
CID 25344926
CID 58296357
CID 58296357
2-(1H-benzimidazol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 2393619
2-(1H-benzimidazol-2-yl)-N-pentylacetamide
CID 67833301

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)acetate?
The IUPAC name of 2-(1H-benzimidazol-2-yl)acetate (CID 6955878) is 2-(1H-benzimidazol-2-yl)acetate.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)acetate?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)acetate is O=C([O-])Cc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)acetate?
The InChIKey is GFTPLFVZKMIYAP-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H8N2O2/c12-9(13)5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H,10,11)(H,12,13)/p-1.
What are the key properties of 2-(1H-benzimidazol-2-yl)acetate?
2-(1H-benzimidazol-2-yl)acetate has a molecular weight of 175.17 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)acetate is sourced from PubChem (CID 6955878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).