2-(7-methoxy-1H-benzimidazol-4-yl)acetic acid

C10H10N2O3 — CID 131407690

IUPAC2-(7-methoxy-1H-benzimidazol-4-yl)acetic acid
SMILESCOc1ccc(CC(=O)O)c2nc[nH]c12
InChIInChI=1S/C10H10N2O3/c1-15-7-3-2-6(4-8(13)14)9-10(7)12-5-11-9/h2-3,5H,4H2,1H3,(H,11,12)(H,13,14)
InChIKeyNXVJNTPCJOIPFV-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.20
Rot. Bonds3

About 2-(7-methoxy-1H-benzimidazol-4-yl)acetic acid

2-(7-methoxy-1H-benzimidazol-4-yl)acetic acid (PubChem CID 131407690) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-(7-methoxy-1H-benzimidazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(7-methoxy-1H-benzimidazol-4-yl)acetic acid
PubChem CID131407690
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name2-(7-methoxy-1H-benzimidazol-4-yl)acetic acid
SMILESCOc1ccc(CC(=O)O)c2nc[nH]c12
InChIInChI=1S/C10H10N2O3/c1-15-7-3-2-6(4-8(13)14)9-10(7)12-5-11-9/h2-3,5H,4H2,1H3,(H,11,12)(H,13,14)
InChIKeyNXVJNTPCJOIPFV-UHFFFAOYSA-N
XLogP1.20
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(7-methoxy-1H-benzimidazol-4-yl)methanol
CID 130983658
methyl 7-methoxy-1H-benzimidazole-4-carboxylate
CID 22663455
2-[7-(chloromethyl)-1H-benzimidazol-4-yl]acetic acid
CID 131449389
2-(7-methoxy-1H-benzimidazol-4-yl)-3-(4-methoxyphenyl)propanoic acid
CID 67628147
2-[2-(1,1-diphenylethyl)-7-methoxy-1H-benzimidazol-4-yl]acetic acid
CID 67629226
2-(4-fluoro-1H-benzimidazol-5-yl)acetic acid
CID 130882212
2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]acetic acid
CID 117353050
2-(3,6-dimethoxy-2-methylsulfonylphenyl)acetic acid
CID 117438167
4-(2,5-dihydrofuran-3-yl)-7-methoxy-1H-benzimidazole
CID 175786205
2-[4-[2-(4-methoxy-3-methylphenyl)ethynyl]-2-methylphenyl]acetic acid
CID 18710220
2-(4-bromo-1H-benzimidazol-5-yl)acetic acid
CID 130848920
2-(3-methoxy-2-pyridinyl)acetic acid
CID 53411457

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-1H-benzimidazol-4-yl)acetic acid?
The IUPAC name of 2-(7-methoxy-1H-benzimidazol-4-yl)acetic acid (CID 131407690) is 2-(7-methoxy-1H-benzimidazol-4-yl)acetic acid.
What is the SMILES notation for 2-(7-methoxy-1H-benzimidazol-4-yl)acetic acid?
The canonical SMILES for 2-(7-methoxy-1H-benzimidazol-4-yl)acetic acid is COc1ccc(CC(=O)O)c2nc[nH]c12.
What is the InChIKey of 2-(7-methoxy-1H-benzimidazol-4-yl)acetic acid?
The InChIKey is NXVJNTPCJOIPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-15-7-3-2-6(4-8(13)14)9-10(7)12-5-11-9/h2-3,5H,4H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-(7-methoxy-1H-benzimidazol-4-yl)acetic acid?
2-(7-methoxy-1H-benzimidazol-4-yl)acetic acid has a molecular weight of 206.20 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-1H-benzimidazol-4-yl)acetic acid is sourced from PubChem (CID 131407690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).