2-[4-(2-butyl-6-fluorobenzimidazol-1-yl)phenyl]ethyl pentanoate

C24H29FN2O2 — CID 67098983

IUPAC2-[4-(2-butyl-6-fluorobenzimidazol-1-yl)phenyl]ethyl pentanoate
SMILESCCCCC(=O)OCCc1ccc(-n2c(CCCC)nc3ccc(F)cc32)cc1
InChIInChI=1S/C24H29FN2O2/c1-3-5-7-23-26-21-14-11-19(25)17-22(21)27(23)20-12-9-18(10-13-20)15-16-29-24(28)8-6-4-2/h9-14,17H,3-8,15-16H2,1-2H3
InChIKeyUPVRFKYSZHHNPY-UHFFFAOYSA-N
MW396.51 g/mol
LogP5.78
Rot. Bonds10

About 2-[4-(2-butyl-6-fluorobenzimidazol-1-yl)phenyl]ethyl pentanoate

2-[4-(2-butyl-6-fluorobenzimidazol-1-yl)phenyl]ethyl pentanoate (PubChem CID 67098983) has the molecular formula C24H29FN2O2 and a molecular weight of 396.51 g/mol. Its IUPAC name is 2-[4-(2-butyl-6-fluorobenzimidazol-1-yl)phenyl]ethyl pentanoate.

Molecular Properties

Compound Name2-[4-(2-butyl-6-fluorobenzimidazol-1-yl)phenyl]ethyl pentanoate
PubChem CID67098983
Molecular FormulaC24H29FN2O2
Molecular Weight396.51 g/mol
Exact Mass396.22
IUPAC Name2-[4-(2-butyl-6-fluorobenzimidazol-1-yl)phenyl]ethyl pentanoate
SMILESCCCCC(=O)OCCc1ccc(-n2c(CCCC)nc3ccc(F)cc32)cc1
InChIInChI=1S/C24H29FN2O2/c1-3-5-7-23-26-21-14-11-19(25)17-22(21)27(23)20-12-9-18(10-13-20)15-16-29-24(28)8-6-4-2/h9-14,17H,3-8,15-16H2,1-2H3
InChIKeyUPVRFKYSZHHNPY-UHFFFAOYSA-N
XLogP5.78
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.51
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-butyl-6-fluorobenzimidazol-1-yl)phenyl]ethyl pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-butyl-6-fluorobenzimidazol-1-yl)phenyl]ethyl pentanoate?
The IUPAC name of 2-[4-(2-butyl-6-fluorobenzimidazol-1-yl)phenyl]ethyl pentanoate (CID 67098983) is 2-[4-(2-butyl-6-fluorobenzimidazol-1-yl)phenyl]ethyl pentanoate.
What is the SMILES notation for 2-[4-(2-butyl-6-fluorobenzimidazol-1-yl)phenyl]ethyl pentanoate?
The canonical SMILES for 2-[4-(2-butyl-6-fluorobenzimidazol-1-yl)phenyl]ethyl pentanoate is CCCCC(=O)OCCc1ccc(-n2c(CCCC)nc3ccc(F)cc32)cc1.
What is the InChIKey of 2-[4-(2-butyl-6-fluorobenzimidazol-1-yl)phenyl]ethyl pentanoate?
The InChIKey is UPVRFKYSZHHNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O2/c1-3-5-7-23-26-21-14-11-19(25)17-22(21)27(23)20-12-9-18(10-13-20)15-16-29-24(28)8-6-4-2/h9-14,17H,3-8,15-16H2,1-2H3.
What are the key properties of 2-[4-(2-butyl-6-fluorobenzimidazol-1-yl)phenyl]ethyl pentanoate?
2-[4-(2-butyl-6-fluorobenzimidazol-1-yl)phenyl]ethyl pentanoate has a molecular weight of 396.51 g/mol, XLogP of 5.78, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-butyl-6-fluorobenzimidazol-1-yl)phenyl]ethyl pentanoate is sourced from PubChem (CID 67098983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).