1-cyclopentyl-2-[4-[(4-methoxyphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid

C27H26N2O4 — CID 10160567

IUPAC1-cyclopentyl-2-[4-[(4-methoxyphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid
SMILESCOc1ccc(COc2ccc(-c3nc4cc(C(=O)O)ccc4n3C3CCCC3)cc2)cc1
InChIInChI=1S/C27H26N2O4/c1-32-22-11-6-18(7-12-22)17-33-23-13-8-19(9-14-23)26-28-24-16-20(27(30)31)10-15-25(24)29(26)21-4-2-3-5-21/h6-16,21H,2-5,17H2,1H3,(H,30,31)
InChIKeyZQWPOOPPWFNRCA-UHFFFAOYSA-N
MW442.52 g/mol
LogP6.10
Rot. Bonds7

About 1-cyclopentyl-2-[4-[(4-methoxyphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid

1-cyclopentyl-2-[4-[(4-methoxyphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid (PubChem CID 10160567) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is 1-cyclopentyl-2-[4-[(4-methoxyphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-2-[4-[(4-methoxyphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid
PubChem CID10160567
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC Name1-cyclopentyl-2-[4-[(4-methoxyphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid
SMILESCOc1ccc(COc2ccc(-c3nc4cc(C(=O)O)ccc4n3C3CCCC3)cc2)cc1
InChIInChI=1S/C27H26N2O4/c1-32-22-11-6-18(7-12-22)17-33-23-13-8-19(9-14-23)26-28-24-16-20(27(30)31)10-15-25(24)29(26)21-4-2-3-5-21/h6-16,21H,2-5,17H2,1H3,(H,30,31)
InChIKeyZQWPOOPPWFNRCA-UHFFFAOYSA-N
XLogP6.10
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[4-[(4-methoxyphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid?
The IUPAC name of 1-cyclopentyl-2-[4-[(4-methoxyphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid (CID 10160567) is 1-cyclopentyl-2-[4-[(4-methoxyphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-2-[4-[(4-methoxyphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-2-[4-[(4-methoxyphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid is COc1ccc(COc2ccc(-c3nc4cc(C(=O)O)ccc4n3C3CCCC3)cc2)cc1.
What is the InChIKey of 1-cyclopentyl-2-[4-[(4-methoxyphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid?
The InChIKey is ZQWPOOPPWFNRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-32-22-11-6-18(7-12-22)17-33-23-13-8-19(9-14-23)26-28-24-16-20(27(30)31)10-15-25(24)29(26)21-4-2-3-5-21/h6-16,21H,2-5,17H2,1H3,(H,30,31).
What are the key properties of 1-cyclopentyl-2-[4-[(4-methoxyphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid?
1-cyclopentyl-2-[4-[(4-methoxyphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid has a molecular weight of 442.52 g/mol, XLogP of 6.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[4-[(4-methoxyphenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 10160567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).