4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)butanoic acid

C14H17FN2O2 — CID 54919931

IUPAC4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)butanoic acid
SMILESCC(C)n1c(CCCC(=O)O)nc2c(F)cccc21
InChIInChI=1S/C14H17FN2O2/c1-9(2)17-11-6-3-5-10(15)14(11)16-12(17)7-4-8-13(18)19/h3,5-6,9H,4,7-8H2,1-2H3,(H,18,19)
InChIKeyFHLHTMOJUOAYPM-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.16
Rot. Bonds5

About 4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)butanoic acid

4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)butanoic acid (PubChem CID 54919931) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)butanoic acid
PubChem CID54919931
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)butanoic acid
SMILESCC(C)n1c(CCCC(=O)O)nc2c(F)cccc21
InChIInChI=1S/C14H17FN2O2/c1-9(2)17-11-6-3-5-10(15)14(11)16-12(17)7-4-8-13(18)19/h3,5-6,9H,4,7-8H2,1-2H3,(H,18,19)
InChIKeyFHLHTMOJUOAYPM-UHFFFAOYSA-N
XLogP3.16
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)butanoic acid?
The IUPAC name of 4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)butanoic acid (CID 54919931) is 4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)butanoic acid.
What is the SMILES notation for 4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)butanoic acid?
The canonical SMILES for 4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)butanoic acid is CC(C)n1c(CCCC(=O)O)nc2c(F)cccc21.
What is the InChIKey of 4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)butanoic acid?
The InChIKey is FHLHTMOJUOAYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-9(2)17-11-6-3-5-10(15)14(11)16-12(17)7-4-8-13(18)19/h3,5-6,9H,4,7-8H2,1-2H3,(H,18,19).
What are the key properties of 4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)butanoic acid?
4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)butanoic acid has a molecular weight of 264.30 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)butanoic acid is sourced from PubChem (CID 54919931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).