2-(3-carboxy-4-hydroxyphenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid

C20H18N2O5 — CID 135730670

IUPAC2-(3-carboxy-4-hydroxyphenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc(O)c(C(=O)O)c1)n2C1CCCC1
InChIInChI=1S/C20H18N2O5/c23-17-8-6-11(9-14(17)20(26)27)18-21-15-10-12(19(24)25)5-7-16(15)22(18)13-3-1-2-4-13/h5-10,13,23H,1-4H2,(H,24,25)(H,26,27)
InChIKeyRYMFQUPCGVJVHC-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.92
Rot. Bonds4

About 2-(3-carboxy-4-hydroxyphenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid

2-(3-carboxy-4-hydroxyphenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid (PubChem CID 135730670) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is 2-(3-carboxy-4-hydroxyphenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-carboxy-4-hydroxyphenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid
PubChem CID135730670
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name2-(3-carboxy-4-hydroxyphenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1ccc(O)c(C(=O)O)c1)n2C1CCCC1
InChIInChI=1S/C20H18N2O5/c23-17-8-6-11(9-14(17)20(26)27)18-21-15-10-12(19(24)25)5-7-16(15)22(18)13-3-1-2-4-13/h5-10,13,23H,1-4H2,(H,24,25)(H,26,27)
InChIKeyRYMFQUPCGVJVHC-UHFFFAOYSA-N
XLogP3.92
TPSA112.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-carboxy-4-hydroxyphenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-(3-carboxy-4-hydroxyphenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid (CID 135730670) is 2-(3-carboxy-4-hydroxyphenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-carboxy-4-hydroxyphenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(3-carboxy-4-hydroxyphenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1ccc(O)c(C(=O)O)c1)n2C1CCCC1.
What is the InChIKey of 2-(3-carboxy-4-hydroxyphenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid?
The InChIKey is RYMFQUPCGVJVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c23-17-8-6-11(9-14(17)20(26)27)18-21-15-10-12(19(24)25)5-7-16(15)22(18)13-3-1-2-4-13/h5-10,13,23H,1-4H2,(H,24,25)(H,26,27).
What are the key properties of 2-(3-carboxy-4-hydroxyphenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid?
2-(3-carboxy-4-hydroxyphenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid has a molecular weight of 366.37 g/mol, XLogP of 3.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carboxy-4-hydroxyphenyl)-1-cyclopentylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 135730670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).