2-(1H-benzimidazol-2-yl)terephthalic acid

C15H10N2O4 — CID 6395633

IUPAC2-(1H-benzimidazol-2-yl)terephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)c(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C15H10N2O4/c18-14(19)8-5-6-9(15(20)21)10(7-8)13-16-11-3-1-2-4-12(11)17-13/h1-7H,(H,16,17)(H,18,19)(H,20,21)
InChIKeyPWFNJOLFVOLAMK-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.63
Rot. Bonds3

About 2-(1H-benzimidazol-2-yl)terephthalic acid

2-(1H-benzimidazol-2-yl)terephthalic acid (PubChem CID 6395633) has the molecular formula C15H10N2O4 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)terephthalic acid.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)terephthalic acid
PubChem CID6395633
Molecular FormulaC15H10N2O4
Molecular Weight282.26 g/mol
Exact Mass282.06
IUPAC Name2-(1H-benzimidazol-2-yl)terephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)c(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C15H10N2O4/c18-14(19)8-5-6-9(15(20)21)10(7-8)13-16-11-3-1-2-4-12(11)17-13/h1-7H,(H,16,17)(H,18,19)(H,20,21)
InChIKeyPWFNJOLFVOLAMK-UHFFFAOYSA-N
XLogP2.63
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-benzimidazol-2-yl)-4-methoxybenzoic acid
CID 168554913
3-(1H-benzimidazol-2-yl)-5-tert-butyl-4-hydroxybenzoic acid
CID 141482753
2-(3-carboxy-2,5-dihydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 156760820
bis(2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole);terephthalic acid;tetrahydrate
CID 139060997
5-(1H-benzimidazol-2-yl)-2-hydroxybenzoic acid
CID 136510486
2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-carboxylic acid
CID 79217746
2-[2-(1H-imidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 11738240
2-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 162148176
2-(1H-benzimidazol-2-yl)benzamide
CID 23510026
2-(4-aminophenyl)-3H-benzimidazole-5-carboxylic acid
CID 774873
[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-piperidin-1-ylmethanone
CID 141349864
2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
CID 43349288

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)terephthalic acid?
The IUPAC name of 2-(1H-benzimidazol-2-yl)terephthalic acid (CID 6395633) is 2-(1H-benzimidazol-2-yl)terephthalic acid.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)terephthalic acid?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)terephthalic acid is O=C(O)c1ccc(C(=O)O)c(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)terephthalic acid?
The InChIKey is PWFNJOLFVOLAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O4/c18-14(19)8-5-6-9(15(20)21)10(7-8)13-16-11-3-1-2-4-12(11)17-13/h1-7H,(H,16,17)(H,18,19)(H,20,21).
What are the key properties of 2-(1H-benzimidazol-2-yl)terephthalic acid?
2-(1H-benzimidazol-2-yl)terephthalic acid has a molecular weight of 282.26 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)terephthalic acid is sourced from PubChem (CID 6395633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).