2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid

C12H13N3O3 — CID 82498408

IUPAC2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid
SMILESCc1nc2ccc(CC(=O)NCC(=O)O)cc2[nH]1
InChIInChI=1S/C12H13N3O3/c1-7-14-9-3-2-8(4-10(9)15-7)5-11(16)13-6-12(17)18/h2-4H,5-6H2,1H3,(H,13,16)(H,14,15)(H,17,18)
InChIKeyKVQSDLMRWRJAHW-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.61
Rot. Bonds4

About 2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid

2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid (PubChem CID 82498408) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid
PubChem CID82498408
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid
SMILESCc1nc2ccc(CC(=O)NCC(=O)O)cc2[nH]1
InChIInChI=1S/C12H13N3O3/c1-7-14-9-3-2-8(4-10(9)15-7)5-11(16)13-6-12(17)18/h2-4H,5-6H2,1H3,(H,13,16)(H,14,15)(H,17,18)
InChIKeyKVQSDLMRWRJAHW-UHFFFAOYSA-N
XLogP0.61
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-3H-benzimidazol-5-yl)methylcarbamic acid
CID 115170893
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]-2-phenylacetamide
CID 110791481
N',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide
CID 116847491
2-(4-chlorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 110785613
N-[2-(hydroxymethyl)-3-methylbutyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 131929944
2-hydroxy-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]acetamide
CID 115139875
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 74246041
2-(2-methyl-3H-benzimidazol-5-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110772690
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 110791451
(2S)-2-amino-3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid
CID 96583220
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]-2-sulfanylacetamide
CID 115167417
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 56870014

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid (CID 82498408) is 2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid is Cc1nc2ccc(CC(=O)NCC(=O)O)cc2[nH]1.
What is the InChIKey of 2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid?
The InChIKey is KVQSDLMRWRJAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-7-14-9-3-2-8(4-10(9)15-7)5-11(16)13-6-12(17)18/h2-4H,5-6H2,1H3,(H,13,16)(H,14,15)(H,17,18).
What are the key properties of 2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid?
2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid has a molecular weight of 247.25 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 82498408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).