2-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]acetic acid

C13H12N4O2 — CID 116878629

IUPAC2-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]acetic acid
SMILESCc1nc2ccc(-c3cnc(CC(=O)O)[nH]3)cc2[nH]1
InChIInChI=1S/C13H12N4O2/c1-7-15-9-3-2-8(4-10(9)16-7)11-6-14-12(17-11)5-13(18)19/h2-4,6H,5H2,1H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyKKCLNKPGCVZZLO-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.89
Rot. Bonds3

About 2-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]acetic acid

2-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]acetic acid (PubChem CID 116878629) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]acetic acid
PubChem CID116878629
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name2-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]acetic acid
SMILESCc1nc2ccc(-c3cnc(CC(=O)O)[nH]3)cc2[nH]1
InChIInChI=1S/C13H12N4O2/c1-7-15-9-3-2-8(4-10(9)16-7)11-6-14-12(17-11)5-13(18)19/h2-4,6H,5H2,1H3,(H,14,17)(H,15,16)(H,18,19)
InChIKeyKKCLNKPGCVZZLO-UHFFFAOYSA-N
XLogP1.89
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]ethanol
CID 116881704
[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]hydrazine
CID 116884165
2-[5-(3-hydroxyphenyl)-1H-imidazol-2-yl]acetic acid
CID 84683444
2-[[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]amino]acetic acid
CID 82498408
2-methyl-6-(4-phenylphenyl)-1H-benzimidazole
CID 175938016
4-(hydroxymethyl)-3-(2-methyl-3H-benzimidazol-5-yl)benzoic acid
CID 171064454
2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid
CID 71243393
1-ethyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazole-5-carboxylic acid
CID 82376213
2-(6-bromo-2-methyl-3H-benzimidazol-5-yl)acetic acid
CID 83903030
4-(2-methyl-3H-benzimidazol-5-yl)-4-oxobutanoic acid
CID 82052609
4-[(2-methyl-3H-benzimidazol-5-yl)oxy]butanoic acid
CID 84816240
2-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]acetic acid
CID 83850964

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]acetic acid?
The IUPAC name of 2-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]acetic acid (CID 116878629) is 2-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]acetic acid is Cc1nc2ccc(-c3cnc(CC(=O)O)[nH]3)cc2[nH]1.
What is the InChIKey of 2-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]acetic acid?
The InChIKey is KKCLNKPGCVZZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-7-15-9-3-2-8(4-10(9)16-7)11-6-14-12(17-11)5-13(18)19/h2-4,6H,5H2,1H3,(H,14,17)(H,15,16)(H,18,19).
What are the key properties of 2-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]acetic acid?
2-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]acetic acid has a molecular weight of 256.26 g/mol, XLogP of 1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]acetic acid is sourced from PubChem (CID 116878629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).