3-(1-tert-butylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid

C17H22N2O2 — CID 103551605

IUPAC3-(1-tert-butylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid
SMILESCC(C)(C)n1c(C2CCC(C(=O)O)C2)nc2ccccc21
InChIInChI=1S/C17H22N2O2/c1-17(2,3)19-14-7-5-4-6-13(14)18-15(19)11-8-9-12(10-11)16(20)21/h4-7,11-12H,8-10H2,1-3H3,(H,20,21)
InChIKeyPQFQTBOMFRCGKK-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.76
Rot. Bonds2

About 3-(1-tert-butylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid

3-(1-tert-butylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid (PubChem CID 103551605) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-(1-tert-butylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(1-tert-butylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid
PubChem CID103551605
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name3-(1-tert-butylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid
SMILESCC(C)(C)n1c(C2CCC(C(=O)O)C2)nc2ccccc21
InChIInChI=1S/C17H22N2O2/c1-17(2,3)19-14-7-5-4-6-13(14)18-15(19)11-8-9-12(10-11)16(20)21/h4-7,11-12H,8-10H2,1-3H3,(H,20,21)
InChIKeyPQFQTBOMFRCGKK-UHFFFAOYSA-N
XLogP3.76
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(1-tert-butylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid (CID 103551605) is 3-(1-tert-butylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(1-tert-butylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(1-tert-butylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid is CC(C)(C)n1c(C2CCC(C(=O)O)C2)nc2ccccc21.
What is the InChIKey of 3-(1-tert-butylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid?
The InChIKey is PQFQTBOMFRCGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-17(2,3)19-14-7-5-4-6-13(14)18-15(19)11-8-9-12(10-11)16(20)21/h4-7,11-12H,8-10H2,1-3H3,(H,20,21).
What are the key properties of 3-(1-tert-butylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid?
3-(1-tert-butylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103551605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).