2-(6-ethoxy-1H-benzimidazol-2-yl)acetic acid

C11H12N2O3 — CID 82331853

IUPAC2-(6-ethoxy-1H-benzimidazol-2-yl)acetic acid
SMILESCCOc1ccc2nc(CC(=O)O)[nH]c2c1
InChIInChI=1S/C11H12N2O3/c1-2-16-7-3-4-8-9(5-7)13-10(12-8)6-11(14)15/h3-5H,2,6H2,1H3,(H,12,13)(H,14,15)
InChIKeyBVMAXOPAUVMEBG-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.59
Rot. Bonds4

About 2-(6-ethoxy-1H-benzimidazol-2-yl)acetic acid

2-(6-ethoxy-1H-benzimidazol-2-yl)acetic acid (PubChem CID 82331853) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-(6-ethoxy-1H-benzimidazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(6-ethoxy-1H-benzimidazol-2-yl)acetic acid
PubChem CID82331853
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-(6-ethoxy-1H-benzimidazol-2-yl)acetic acid
SMILESCCOc1ccc2nc(CC(=O)O)[nH]c2c1
InChIInChI=1S/C11H12N2O3/c1-2-16-7-3-4-8-9(5-7)13-10(12-8)6-11(14)15/h3-5H,2,6H2,1H3,(H,12,13)(H,14,15)
InChIKeyBVMAXOPAUVMEBG-UHFFFAOYSA-N
XLogP1.59
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-ethoxy-1H-benzimidazol-2-yl)methylsulfonyl]acetic acid
CID 82337205
6-ethoxy-2-heptadecyl-1H-benzimidazole
CID 71336716
2-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzoic acid
CID 84816254
5-[(2-propyl-3H-benzimidazol-5-yl)oxy]pentanoic acid
CID 84816306
(2R,3S)-3-(6-ethoxy-1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid
CID 3009995
2-(1-chloroethyl)-6-ethoxy-1H-benzimidazole
CID 82331877
6-ethoxy-2-hydroxysulfanyl-1H-benzimidazole
CID 119085221
N-[2-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine
CID 82336836
2-(6-cyano-1H-benzimidazol-2-yl)acetic acid
CID 22002129
2-(5,6-dimethoxy-1H-benzimidazol-2-yl)acetic acid
CID 61366087
3-[(2,4-dichlorophenyl)methoxy]-4-[2-(6-ethoxy-1H-benzimidazol-2-yl)ethyl]benzoic acid
CID 142026207
2-[(4-ethoxyphenoxy)methyl]-3H-benzimidazole-5-carbaldehyde
CID 84756475

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethoxy-1H-benzimidazol-2-yl)acetic acid?
The IUPAC name of 2-(6-ethoxy-1H-benzimidazol-2-yl)acetic acid (CID 82331853) is 2-(6-ethoxy-1H-benzimidazol-2-yl)acetic acid.
What is the SMILES notation for 2-(6-ethoxy-1H-benzimidazol-2-yl)acetic acid?
The canonical SMILES for 2-(6-ethoxy-1H-benzimidazol-2-yl)acetic acid is CCOc1ccc2nc(CC(=O)O)[nH]c2c1.
What is the InChIKey of 2-(6-ethoxy-1H-benzimidazol-2-yl)acetic acid?
The InChIKey is BVMAXOPAUVMEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-2-16-7-3-4-8-9(5-7)13-10(12-8)6-11(14)15/h3-5H,2,6H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(6-ethoxy-1H-benzimidazol-2-yl)acetic acid?
2-(6-ethoxy-1H-benzimidazol-2-yl)acetic acid has a molecular weight of 220.23 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethoxy-1H-benzimidazol-2-yl)acetic acid is sourced from PubChem (CID 82331853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).