2-[2-(thiophen-2-ylmethyl)-3H-benzimidazol-5-yl]acetic acid

C14H12N2O2S — CID 82142003

IUPAC2-[2-(thiophen-2-ylmethyl)-3H-benzimidazol-5-yl]acetic acid
SMILESO=C(O)Cc1ccc2nc(Cc3cccs3)[nH]c2c1
InChIInChI=1S/C14H12N2O2S/c17-14(18)7-9-3-4-11-12(6-9)16-13(15-11)8-10-2-1-5-19-10/h1-6H,7-8H2,(H,15,16)(H,17,18)
InChIKeyGSFFQKGVZADASZ-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.84
Rot. Bonds4

About 2-[2-(thiophen-2-ylmethyl)-3H-benzimidazol-5-yl]acetic acid

2-[2-(thiophen-2-ylmethyl)-3H-benzimidazol-5-yl]acetic acid (PubChem CID 82142003) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-[2-(thiophen-2-ylmethyl)-3H-benzimidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(thiophen-2-ylmethyl)-3H-benzimidazol-5-yl]acetic acid
PubChem CID82142003
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name2-[2-(thiophen-2-ylmethyl)-3H-benzimidazol-5-yl]acetic acid
SMILESO=C(O)Cc1ccc2nc(Cc3cccs3)[nH]c2c1
InChIInChI=1S/C14H12N2O2S/c17-14(18)7-9-3-4-11-12(6-9)16-13(15-11)8-10-2-1-5-19-10/h1-6H,7-8H2,(H,15,16)(H,17,18)
InChIKeyGSFFQKGVZADASZ-UHFFFAOYSA-N
XLogP2.84
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole
CID 60978374
2-(thiophen-2-ylmethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 39158392
5,6-dimethoxy-2-(thiophen-2-ylmethyl)-1H-benzimidazole
CID 39158334
N-[(2S)-1-cyano-4-methylpentan-2-yl]-2-(thiophen-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 144591189
2-[1-(2-methylpropyl)-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]acetic acid
CID 82142130
2-(3-thiophen-2-ylpropyl)-3H-benzimidazol-5-ol
CID 81432482
2-[2-(2-fluorophenyl)-3H-benzimidazol-5-yl]acetic acid
CID 82141996
2-[1-butyl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]acetic acid
CID 82142170
4-(6-thiophen-2-yl-1H-benzimidazol-2-yl)butanoic acid
CID 162023239
N-ethyl-2-(2-ethyl-3H-benzimidazol-5-yl)-N-phenylacetamide
CID 110772768
(E)-but-2-enedioic acid;2-[2-[hydroxy(phenyl)methyl]-3H-benzimidazol-5-yl]acetic acid
CID 6446554
2-(2-ethyl-3H-benzimidazol-5-yl)-N-phenylacetamide
CID 110772765

Frequently Asked Questions

What is the IUPAC name of 2-[2-(thiophen-2-ylmethyl)-3H-benzimidazol-5-yl]acetic acid?
The IUPAC name of 2-[2-(thiophen-2-ylmethyl)-3H-benzimidazol-5-yl]acetic acid (CID 82142003) is 2-[2-(thiophen-2-ylmethyl)-3H-benzimidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[2-(thiophen-2-ylmethyl)-3H-benzimidazol-5-yl]acetic acid?
The canonical SMILES for 2-[2-(thiophen-2-ylmethyl)-3H-benzimidazol-5-yl]acetic acid is O=C(O)Cc1ccc2nc(Cc3cccs3)[nH]c2c1.
What is the InChIKey of 2-[2-(thiophen-2-ylmethyl)-3H-benzimidazol-5-yl]acetic acid?
The InChIKey is GSFFQKGVZADASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c17-14(18)7-9-3-4-11-12(6-9)16-13(15-11)8-10-2-1-5-19-10/h1-6H,7-8H2,(H,15,16)(H,17,18).
What are the key properties of 2-[2-(thiophen-2-ylmethyl)-3H-benzimidazol-5-yl]acetic acid?
2-[2-(thiophen-2-ylmethyl)-3H-benzimidazol-5-yl]acetic acid has a molecular weight of 272.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thiophen-2-ylmethyl)-3H-benzimidazol-5-yl]acetic acid is sourced from PubChem (CID 82142003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).