3-[2-(2-methylbutan-2-yl)benzimidazol-1-yl]propanoic acid

C15H20N2O2 — CID 62677103

IUPAC3-[2-(2-methylbutan-2-yl)benzimidazol-1-yl]propanoic acid
SMILESCCC(C)(C)c1nc2ccccc2n1CCC(=O)O
InChIInChI=1S/C15H20N2O2/c1-4-15(2,3)14-16-11-7-5-6-8-12(11)17(14)10-9-13(18)19/h5-8H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyVTTOCRINEFOEDK-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.20
Rot. Bonds5

About 3-[2-(2-methylbutan-2-yl)benzimidazol-1-yl]propanoic acid

3-[2-(2-methylbutan-2-yl)benzimidazol-1-yl]propanoic acid (PubChem CID 62677103) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[2-(2-methylbutan-2-yl)benzimidazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-methylbutan-2-yl)benzimidazol-1-yl]propanoic acid
PubChem CID62677103
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-[2-(2-methylbutan-2-yl)benzimidazol-1-yl]propanoic acid
SMILESCCC(C)(C)c1nc2ccccc2n1CCC(=O)O
InChIInChI=1S/C15H20N2O2/c1-4-15(2,3)14-16-11-7-5-6-8-12(11)17(14)10-9-13(18)19/h5-8H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyVTTOCRINEFOEDK-UHFFFAOYSA-N
XLogP3.20
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(2-propylbenzimidazol-1-yl)butanoic acid
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3-[2-(4-methylthiophen-3-yl)benzimidazol-1-yl]propanoic acid
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3-[2-(2,5-dimethylpyrazol-3-yl)benzimidazol-1-yl]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylbutan-2-yl)benzimidazol-1-yl]propanoic acid?
The IUPAC name of 3-[2-(2-methylbutan-2-yl)benzimidazol-1-yl]propanoic acid (CID 62677103) is 3-[2-(2-methylbutan-2-yl)benzimidazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[2-(2-methylbutan-2-yl)benzimidazol-1-yl]propanoic acid?
The canonical SMILES for 3-[2-(2-methylbutan-2-yl)benzimidazol-1-yl]propanoic acid is CCC(C)(C)c1nc2ccccc2n1CCC(=O)O.
What is the InChIKey of 3-[2-(2-methylbutan-2-yl)benzimidazol-1-yl]propanoic acid?
The InChIKey is VTTOCRINEFOEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-15(2,3)14-16-11-7-5-6-8-12(11)17(14)10-9-13(18)19/h5-8H,4,9-10H2,1-3H3,(H,18,19).
What are the key properties of 3-[2-(2-methylbutan-2-yl)benzimidazol-1-yl]propanoic acid?
3-[2-(2-methylbutan-2-yl)benzimidazol-1-yl]propanoic acid has a molecular weight of 260.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylbutan-2-yl)benzimidazol-1-yl]propanoic acid is sourced from PubChem (CID 62677103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).