2-(5,6-dimethoxy-1H-benzimidazol-2-yl)acetic acid

C11H12N2O4 — CID 61366087

IUPAC2-(5,6-dimethoxy-1H-benzimidazol-2-yl)acetic acid
SMILESCOc1cc2nc(CC(=O)O)[nH]c2cc1OC
InChIInChI=1S/C11H12N2O4/c1-16-8-3-6-7(4-9(8)17-2)13-10(12-6)5-11(14)15/h3-4H,5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyMSDGGUQGZKDONZ-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.21
Rot. Bonds4

About 2-(5,6-dimethoxy-1H-benzimidazol-2-yl)acetic acid

2-(5,6-dimethoxy-1H-benzimidazol-2-yl)acetic acid (PubChem CID 61366087) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-1H-benzimidazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5,6-dimethoxy-1H-benzimidazol-2-yl)acetic acid
PubChem CID61366087
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name2-(5,6-dimethoxy-1H-benzimidazol-2-yl)acetic acid
SMILESCOc1cc2nc(CC(=O)O)[nH]c2cc1OC
InChIInChI=1S/C11H12N2O4/c1-16-8-3-6-7(4-9(8)17-2)13-10(12-6)5-11(14)15/h3-4H,5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyMSDGGUQGZKDONZ-UHFFFAOYSA-N
XLogP1.21
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methylsulfanyl]acetic acid
CID 104570586
2-(chloromethyl)-5,6-dimethoxy-1H-benzimidazole;hydrochloride
CID 75481538
2-benzyl-5,6-dimethoxy-1H-benzimidazole
CID 39158335
N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 55150957
2-(6-ethoxy-1H-benzimidazol-2-yl)acetic acid
CID 82331853
2-[2-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethylamino]ethanol
CID 82336811
1-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine
CID 64671048
5,6-dimethoxy-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 39158365
2-(6-methoxy-2H-benzotriazol-5-yl)acetic acid
CID 175360709
2-(6,7-diethoxy-4-oxo-3H-quinazolin-2-yl)acetic acid
CID 135443739
N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]pyridin-4-amine
CID 14456519
5,6-dimethoxy-2-(thiophen-2-ylmethyl)-1H-benzimidazole
CID 39158334

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-1H-benzimidazol-2-yl)acetic acid?
The IUPAC name of 2-(5,6-dimethoxy-1H-benzimidazol-2-yl)acetic acid (CID 61366087) is 2-(5,6-dimethoxy-1H-benzimidazol-2-yl)acetic acid.
What is the SMILES notation for 2-(5,6-dimethoxy-1H-benzimidazol-2-yl)acetic acid?
The canonical SMILES for 2-(5,6-dimethoxy-1H-benzimidazol-2-yl)acetic acid is COc1cc2nc(CC(=O)O)[nH]c2cc1OC.
What is the InChIKey of 2-(5,6-dimethoxy-1H-benzimidazol-2-yl)acetic acid?
The InChIKey is MSDGGUQGZKDONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-16-8-3-6-7(4-9(8)17-2)13-10(12-6)5-11(14)15/h3-4H,5H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-(5,6-dimethoxy-1H-benzimidazol-2-yl)acetic acid?
2-(5,6-dimethoxy-1H-benzimidazol-2-yl)acetic acid has a molecular weight of 236.23 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethoxy-1H-benzimidazol-2-yl)acetic acid is sourced from PubChem (CID 61366087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).