2-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzoic acid

C17H16N2O3 — CID 84816254

IUPAC2-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzoic acid
SMILESCCc1nc2ccc(OCc3ccccc3C(=O)O)cc2[nH]1
InChIInChI=1S/C17H16N2O3/c1-2-16-18-14-8-7-12(9-15(14)19-16)22-10-11-5-3-4-6-13(11)17(20)21/h3-9H,2,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyJFPMYEJHHYQVQD-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.40
Rot. Bonds5

About 2-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzoic acid

2-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzoic acid (PubChem CID 84816254) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzoic acid.

Molecular Properties

Compound Name2-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzoic acid
PubChem CID84816254
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzoic acid
SMILESCCc1nc2ccc(OCc3ccccc3C(=O)O)cc2[nH]1
InChIInChI=1S/C17H16N2O3/c1-2-16-18-14-8-7-12(9-15(14)19-16)22-10-11-5-3-4-6-13(11)17(20)21/h3-9H,2,10H2,1H3,(H,18,19)(H,20,21)
InChIKeyJFPMYEJHHYQVQD-UHFFFAOYSA-N
XLogP3.40
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-ethoxy-1H-benzimidazol-2-yl)acetic acid
CID 82331853
2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid
CID 43473200
2-[[4-[(2-ethyl-5,7-dimethyl-3H-benzimidazol-4-yl)methyl]phenoxy]methyl]benzoic acid
CID 67792862
2-[(4-methylphenoxy)methyl]-3H-benzimidazole-5-carboxylic acid
CID 84756425
2-[(3-acetylphenoxy)methyl]benzoic acid
CID 43473132
acetic acid;2-(phenoxymethyl)benzoic acid
CID 154809758
ethane;2-[(3-hydroxyphenoxy)methyl]benzoic acid
CID 91444077
3-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzonitrile
CID 84816265
2-[(2-ethyl-7-methyl-3H-benzimidazol-5-yl)oxymethyl]-3-methylbenzoic acid
CID 70019080
5-[(2-propyl-3H-benzimidazol-5-yl)oxy]pentanoic acid
CID 84816306
2-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987953
2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid
CID 62073745

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzoic acid?
The IUPAC name of 2-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzoic acid (CID 84816254) is 2-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzoic acid.
What is the SMILES notation for 2-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzoic acid?
The canonical SMILES for 2-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzoic acid is CCc1nc2ccc(OCc3ccccc3C(=O)O)cc2[nH]1.
What is the InChIKey of 2-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzoic acid?
The InChIKey is JFPMYEJHHYQVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-2-16-18-14-8-7-12(9-15(14)19-16)22-10-11-5-3-4-6-13(11)17(20)21/h3-9H,2,10H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzoic acid?
2-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzoic acid has a molecular weight of 296.33 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzoic acid is sourced from PubChem (CID 84816254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).