2-(2-imino-3-methylbenzimidazol-1-yl)acetic acid

C10H11N3O2 — CID 590229

IUPAC2-(2-imino-3-methylbenzimidazol-1-yl)acetic acid
SMILES[H]/N=c1\n(C)c2ccccc2n1CC(=O)O
InChIInChI=1S/C10H11N3O2/c1-12-7-4-2-3-5-8(7)13(10(12)11)6-9(14)15/h2-5,11H,6H2,1H3,(H,14,15)/b11-10+
InChIKeyMAKVJKFGCVRZJO-ZHACJKMWSA-N
MW205.22 g/mol
LogP0.54
Rot. Bonds2

About 2-(2-imino-3-methylbenzimidazol-1-yl)acetic acid

2-(2-imino-3-methylbenzimidazol-1-yl)acetic acid (PubChem CID 590229) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-(2-imino-3-methylbenzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-imino-3-methylbenzimidazol-1-yl)acetic acid
PubChem CID590229
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-(2-imino-3-methylbenzimidazol-1-yl)acetic acid
SMILES[H]/N=c1\n(C)c2ccccc2n1CC(=O)O
InChIInChI=1S/C10H11N3O2/c1-12-7-4-2-3-5-8(7)13(10(12)11)6-9(14)15/h2-5,11H,6H2,1H3,(H,14,15)/b11-10+
InChIKeyMAKVJKFGCVRZJO-ZHACJKMWSA-N
XLogP0.54
TPSA71.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-(carboxymethyl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)acetic acid
CID 228472
2,3-Dihydro-3-methyl-2-oxo-1H-benzimidazole-1-propanoic acid
CID 661355
2-(3-methyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)acetic acid
CID 773560
ethyl 2-(1-methyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-4-yl)acetate
CID 56680099
methyl 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)acetate;hydrobromide
CID 16192754
(2-Oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetic acid
CID 10845408
1-(3-ethyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)-3,3-dimethyl-2-butanone hydrobromide
CID 2851753
2-(3-Ethyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)ethanol hydrochloride
CID 2857928
methyl 2-(3-ethyl-2-imino-2,3-dihydro-1H-benzo[d]imidazol-1-yl)acetate hydrobromide
CID 6602702
Butyl 2-(2-imino-3-propylbenzimidazol-1-yl)acetate;hydrochloride
CID 6602924
1-(3-Butyl-2-iminobenzimidazol-1-yl)-3,3-dimethylbutan-2-one;hydrobromide
CID 6603487
Ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2-iminobenzimidazol-1-yl]acetate;hydrobromide
CID 53376158

Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-3-methylbenzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(2-imino-3-methylbenzimidazol-1-yl)acetic acid (CID 590229) is 2-(2-imino-3-methylbenzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(2-imino-3-methylbenzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(2-imino-3-methylbenzimidazol-1-yl)acetic acid is [H]/N=c1\n(C)c2ccccc2n1CC(=O)O.
What is the InChIKey of 2-(2-imino-3-methylbenzimidazol-1-yl)acetic acid?
The InChIKey is MAKVJKFGCVRZJO-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-12-7-4-2-3-5-8(7)13(10(12)11)6-9(14)15/h2-5,11H,6H2,1H3,(H,14,15)/b11-10+.
What are the key properties of 2-(2-imino-3-methylbenzimidazol-1-yl)acetic acid?
2-(2-imino-3-methylbenzimidazol-1-yl)acetic acid has a molecular weight of 205.22 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-3-methylbenzimidazol-1-yl)acetic acid is sourced from PubChem (CID 590229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).