1-[2-(2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid

C25H17N3O3 — CID 142681193

IUPAC1-[2-(2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)ncn2-c1ccc2nc(-c3ccc4c(c3)CCO4)ccc2c1
InChIInChI=1S/C25H17N3O3/c29-25(30)18-2-7-23-22(13-18)26-14-28(23)19-4-6-21-16(12-19)1-5-20(27-21)15-3-8-24-17(11-15)9-10-31-24/h1-8,11-14H,9-10H2,(H,29,30)
InChIKeyQPQHDFNSGYUJDM-UHFFFAOYSA-N
MW407.43 g/mol
LogP4.87
Rot. Bonds3

About 1-[2-(2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid

1-[2-(2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid (PubChem CID 142681193) has the molecular formula C25H17N3O3 and a molecular weight of 407.43 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid
PubChem CID142681193
Molecular FormulaC25H17N3O3
Molecular Weight407.43 g/mol
Exact Mass407.13
IUPAC Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)ncn2-c1ccc2nc(-c3ccc4c(c3)CCO4)ccc2c1
InChIInChI=1S/C25H17N3O3/c29-25(30)18-2-7-23-22(13-18)26-14-28(23)19-4-6-21-16(12-19)1-5-20(27-21)15-3-8-24-17(11-15)9-10-31-24/h1-8,11-14H,9-10H2,(H,29,30)
InChIKeyQPQHDFNSGYUJDM-UHFFFAOYSA-N
XLogP4.87
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
1-(3,6-dihydro-2H-pyran-4-yl)benzimidazole-5-carboxylic acid
CID 130229154
5-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylic acid
CID 71700391
1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)phenyl]benzimidazole-5-carboxamide
CID 150792304
5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carboxylic acid
CID 54974551
1-(3-bromo-4-methylphenyl)benzimidazole-5-carboxylic acid
CID 63547813
1-(3-bromophenyl)benzimidazole-5-carboxylic acid;ethane
CID 143546276
4-(5-bromobenzimidazol-1-yl)benzoic acid
CID 167161055
1-(3-chloro-5-fluorophenyl)benzimidazole-5-carboxylic acid
CID 107368788
2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetic acid
CID 116965649
3-(4-iodophenyl)benzimidazole-5-carboxylic acid
CID 82790830
1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
CID 4525945

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid (CID 142681193) is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)ncn2-c1ccc2nc(-c3ccc4c(c3)CCO4)ccc2c1.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid?
The InChIKey is QPQHDFNSGYUJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O3/c29-25(30)18-2-7-23-22(13-18)26-14-28(23)19-4-6-21-16(12-19)1-5-20(27-21)15-3-8-24-17(11-15)9-10-31-24/h1-8,11-14H,9-10H2,(H,29,30).
What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid?
1-[2-(2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid has a molecular weight of 407.43 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)quinolin-6-yl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 142681193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).