1-(3-cyclopentylpropyl)benzimidazole-5-carboxylic acid

C16H20N2O2 — CID 106003508

IUPAC1-(3-cyclopentylpropyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)ncn2CCCC1CCCC1
InChIInChI=1S/C16H20N2O2/c19-16(20)13-7-8-15-14(10-13)17-11-18(15)9-3-6-12-4-1-2-5-12/h7-8,10-12H,1-6,9H2,(H,19,20)
InChIKeyUPNRUAPHQLLEGT-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.70
Rot. Bonds5

About 1-(3-cyclopentylpropyl)benzimidazole-5-carboxylic acid

1-(3-cyclopentylpropyl)benzimidazole-5-carboxylic acid (PubChem CID 106003508) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(3-cyclopentylpropyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyclopentylpropyl)benzimidazole-5-carboxylic acid
PubChem CID106003508
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(3-cyclopentylpropyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)ncn2CCCC1CCCC1
InChIInChI=1S/C16H20N2O2/c19-16(20)13-7-8-15-14(10-13)17-11-18(15)9-3-6-12-4-1-2-5-12/h7-8,10-12H,1-6,9H2,(H,19,20)
InChIKeyUPNRUAPHQLLEGT-UHFFFAOYSA-N
XLogP3.70
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentylpropyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 1-(3-cyclopentylpropyl)benzimidazole-5-carboxylic acid (CID 106003508) is 1-(3-cyclopentylpropyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(3-cyclopentylpropyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(3-cyclopentylpropyl)benzimidazole-5-carboxylic acid is O=C(O)c1ccc2c(c1)ncn2CCCC1CCCC1.
What is the InChIKey of 1-(3-cyclopentylpropyl)benzimidazole-5-carboxylic acid?
The InChIKey is UPNRUAPHQLLEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-16(20)13-7-8-15-14(10-13)17-11-18(15)9-3-6-12-4-1-2-5-12/h7-8,10-12H,1-6,9H2,(H,19,20).
What are the key properties of 1-(3-cyclopentylpropyl)benzimidazole-5-carboxylic acid?
1-(3-cyclopentylpropyl)benzimidazole-5-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentylpropyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 106003508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).