3-(3-ethylpentan-2-yl)benzimidazole-5-carboxylic acid

C15H20N2O2 — CID 82791090

IUPAC3-(3-ethylpentan-2-yl)benzimidazole-5-carboxylic acid
SMILESCCC(CC)C(C)n1cnc2ccc(C(=O)O)cc21
InChIInChI=1S/C15H20N2O2/c1-4-11(5-2)10(3)17-9-16-13-7-6-12(15(18)19)8-14(13)17/h6-11H,4-5H2,1-3H3,(H,18,19)
InChIKeyUSFAGJLSMMHZAT-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.73
Rot. Bonds5

About 3-(3-ethylpentan-2-yl)benzimidazole-5-carboxylic acid

3-(3-ethylpentan-2-yl)benzimidazole-5-carboxylic acid (PubChem CID 82791090) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(3-ethylpentan-2-yl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-ethylpentan-2-yl)benzimidazole-5-carboxylic acid
PubChem CID82791090
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-(3-ethylpentan-2-yl)benzimidazole-5-carboxylic acid
SMILESCCC(CC)C(C)n1cnc2ccc(C(=O)O)cc21
InChIInChI=1S/C15H20N2O2/c1-4-11(5-2)10(3)17-9-16-13-7-6-12(15(18)19)8-14(13)17/h6-11H,4-5H2,1-3H3,(H,18,19)
InChIKeyUSFAGJLSMMHZAT-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylpentan-2-yl)benzimidazole-5-carboxylic acid?
The IUPAC name of 3-(3-ethylpentan-2-yl)benzimidazole-5-carboxylic acid (CID 82791090) is 3-(3-ethylpentan-2-yl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-ethylpentan-2-yl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(3-ethylpentan-2-yl)benzimidazole-5-carboxylic acid is CCC(CC)C(C)n1cnc2ccc(C(=O)O)cc21.
What is the InChIKey of 3-(3-ethylpentan-2-yl)benzimidazole-5-carboxylic acid?
The InChIKey is USFAGJLSMMHZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-11(5-2)10(3)17-9-16-13-7-6-12(15(18)19)8-14(13)17/h6-11H,4-5H2,1-3H3,(H,18,19).
What are the key properties of 3-(3-ethylpentan-2-yl)benzimidazole-5-carboxylic acid?
3-(3-ethylpentan-2-yl)benzimidazole-5-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylpentan-2-yl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82791090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).