2-(2-propylbenzimidazol-1-yl)cyclobutane-1-carboxylic acid

C15H18N2O2 — CID 112632122

IUPAC2-(2-propylbenzimidazol-1-yl)cyclobutane-1-carboxylic acid
SMILESCCCc1nc2ccccc2n1C1CCC1C(=O)O
InChIInChI=1S/C15H18N2O2/c1-2-5-14-16-11-6-3-4-7-13(11)17(14)12-9-8-10(12)15(18)19/h3-4,6-7,10,12H,2,5,8-9H2,1H3,(H,18,19)
InChIKeyALOPMTGOFWHOHS-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.02
Rot. Bonds4

About 2-(2-propylbenzimidazol-1-yl)cyclobutane-1-carboxylic acid

2-(2-propylbenzimidazol-1-yl)cyclobutane-1-carboxylic acid (PubChem CID 112632122) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(2-propylbenzimidazol-1-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-propylbenzimidazol-1-yl)cyclobutane-1-carboxylic acid
PubChem CID112632122
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(2-propylbenzimidazol-1-yl)cyclobutane-1-carboxylic acid
SMILESCCCc1nc2ccccc2n1C1CCC1C(=O)O
InChIInChI=1S/C15H18N2O2/c1-2-5-14-16-11-6-3-4-7-13(11)17(14)12-9-8-10(12)15(18)19/h3-4,6-7,10,12H,2,5,8-9H2,1H3,(H,18,19)
InChIKeyALOPMTGOFWHOHS-UHFFFAOYSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propylbenzimidazol-1-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(2-propylbenzimidazol-1-yl)cyclobutane-1-carboxylic acid (CID 112632122) is 2-(2-propylbenzimidazol-1-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(2-propylbenzimidazol-1-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(2-propylbenzimidazol-1-yl)cyclobutane-1-carboxylic acid is CCCc1nc2ccccc2n1C1CCC1C(=O)O.
What is the InChIKey of 2-(2-propylbenzimidazol-1-yl)cyclobutane-1-carboxylic acid?
The InChIKey is ALOPMTGOFWHOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-5-14-16-11-6-3-4-7-13(11)17(14)12-9-8-10(12)15(18)19/h3-4,6-7,10,12H,2,5,8-9H2,1H3,(H,18,19).
What are the key properties of 2-(2-propylbenzimidazol-1-yl)cyclobutane-1-carboxylic acid?
2-(2-propylbenzimidazol-1-yl)cyclobutane-1-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylbenzimidazol-1-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 112632122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).