1-cyclopentyl-2-[3-(3-hydroxypropyl)phenyl]benzimidazole-5-carboxylic acid

C22H24N2O3 — CID 71216208

IUPAC1-cyclopentyl-2-[3-(3-hydroxypropyl)phenyl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1cccc(CCCO)c1)n2C1CCCC1
InChIInChI=1S/C22H24N2O3/c25-12-4-6-15-5-3-7-16(13-15)21-23-19-14-17(22(26)27)10-11-20(19)24(21)18-8-1-2-9-18/h3,5,7,10-11,13-14,18,25H,1-2,4,6,8-9,12H2,(H,26,27)
InChIKeyWSWSCOYILXYHSZ-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.44
Rot. Bonds6

About 1-cyclopentyl-2-[3-(3-hydroxypropyl)phenyl]benzimidazole-5-carboxylic acid

1-cyclopentyl-2-[3-(3-hydroxypropyl)phenyl]benzimidazole-5-carboxylic acid (PubChem CID 71216208) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-cyclopentyl-2-[3-(3-hydroxypropyl)phenyl]benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-2-[3-(3-hydroxypropyl)phenyl]benzimidazole-5-carboxylic acid
PubChem CID71216208
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name1-cyclopentyl-2-[3-(3-hydroxypropyl)phenyl]benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(-c1cccc(CCCO)c1)n2C1CCCC1
InChIInChI=1S/C22H24N2O3/c25-12-4-6-15-5-3-7-16(13-15)21-23-19-14-17(22(26)27)10-11-20(19)24(21)18-8-1-2-9-18/h3,5,7,10-11,13-14,18,25H,1-2,4,6,8-9,12H2,(H,26,27)
InChIKeyWSWSCOYILXYHSZ-UHFFFAOYSA-N
XLogP4.44
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[3-(3-hydroxypropyl)phenyl]benzimidazole-5-carboxylic acid?
The IUPAC name of 1-cyclopentyl-2-[3-(3-hydroxypropyl)phenyl]benzimidazole-5-carboxylic acid (CID 71216208) is 1-cyclopentyl-2-[3-(3-hydroxypropyl)phenyl]benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-2-[3-(3-hydroxypropyl)phenyl]benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-2-[3-(3-hydroxypropyl)phenyl]benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)nc(-c1cccc(CCCO)c1)n2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[3-(3-hydroxypropyl)phenyl]benzimidazole-5-carboxylic acid?
The InChIKey is WSWSCOYILXYHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-12-4-6-15-5-3-7-16(13-15)21-23-19-14-17(22(26)27)10-11-20(19)24(21)18-8-1-2-9-18/h3,5,7,10-11,13-14,18,25H,1-2,4,6,8-9,12H2,(H,26,27).
What are the key properties of 1-cyclopentyl-2-[3-(3-hydroxypropyl)phenyl]benzimidazole-5-carboxylic acid?
1-cyclopentyl-2-[3-(3-hydroxypropyl)phenyl]benzimidazole-5-carboxylic acid has a molecular weight of 364.45 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[3-(3-hydroxypropyl)phenyl]benzimidazole-5-carboxylic acid is sourced from PubChem (CID 71216208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).