2-(6-fluoro-1-propylbenzimidazol-2-yl)butan-1-amine

C14H20FN3 — CID 65220782

IUPAC2-(6-fluoro-1-propylbenzimidazol-2-yl)butan-1-amine
SMILESCCCn1c(C(CC)CN)nc2ccc(F)cc21
InChIInChI=1S/C14H20FN3/c1-3-7-18-13-8-11(15)5-6-12(13)17-14(18)10(4-2)9-16/h5-6,8,10H,3-4,7,9,16H2,1-2H3
InChIKeyKFJOGAUWEBVFLH-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.04
Rot. Bonds5

About 2-(6-fluoro-1-propylbenzimidazol-2-yl)butan-1-amine

2-(6-fluoro-1-propylbenzimidazol-2-yl)butan-1-amine (PubChem CID 65220782) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-(6-fluoro-1-propylbenzimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-(6-fluoro-1-propylbenzimidazol-2-yl)butan-1-amine
PubChem CID65220782
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name2-(6-fluoro-1-propylbenzimidazol-2-yl)butan-1-amine
SMILESCCCn1c(C(CC)CN)nc2ccc(F)cc21
InChIInChI=1S/C14H20FN3/c1-3-7-18-13-8-11(15)5-6-12(13)17-14(18)10(4-2)9-16/h5-6,8,10H,3-4,7,9,16H2,1-2H3
InChIKeyKFJOGAUWEBVFLH-UHFFFAOYSA-N
XLogP3.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(6-fluoro-1-propylbenzimidazol-2-yl)butan-1-amine 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-(6-fluoro-1-propylbenzimidazol-2-yl)butan-1-amine?
The IUPAC name of 2-(6-fluoro-1-propylbenzimidazol-2-yl)butan-1-amine (CID 65220782) is 2-(6-fluoro-1-propylbenzimidazol-2-yl)butan-1-amine.
What is the SMILES notation for 2-(6-fluoro-1-propylbenzimidazol-2-yl)butan-1-amine?
The canonical SMILES for 2-(6-fluoro-1-propylbenzimidazol-2-yl)butan-1-amine is CCCn1c(C(CC)CN)nc2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoro-1-propylbenzimidazol-2-yl)butan-1-amine?
The InChIKey is KFJOGAUWEBVFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c1-3-7-18-13-8-11(15)5-6-12(13)17-14(18)10(4-2)9-16/h5-6,8,10H,3-4,7,9,16H2,1-2H3.
What are the key properties of 2-(6-fluoro-1-propylbenzimidazol-2-yl)butan-1-amine?
2-(6-fluoro-1-propylbenzimidazol-2-yl)butan-1-amine has a molecular weight of 249.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-propylbenzimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 65220782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).