1-(1-butyl-5-fluorobenzimidazol-2-yl)ethanamine

C13H18FN3 — CID 82332092

IUPAC1-(1-butyl-5-fluorobenzimidazol-2-yl)ethanamine
SMILESCCCCn1c(C(C)N)nc2cc(F)ccc21
InChIInChI=1S/C13H18FN3/c1-3-4-7-17-12-6-5-10(14)8-11(12)16-13(17)9(2)15/h5-6,8-9H,3-4,7,15H2,1-2H3
InChIKeyWUXNGHAQLDYJEI-UHFFFAOYSA-N
MW235.31 g/mol
LogP3.00
Rot. Bonds4

About 1-(1-butyl-5-fluorobenzimidazol-2-yl)ethanamine

1-(1-butyl-5-fluorobenzimidazol-2-yl)ethanamine (PubChem CID 82332092) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-(1-butyl-5-fluorobenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1-butyl-5-fluorobenzimidazol-2-yl)ethanamine
PubChem CID82332092
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC Name1-(1-butyl-5-fluorobenzimidazol-2-yl)ethanamine
SMILESCCCCn1c(C(C)N)nc2cc(F)ccc21
InChIInChI=1S/C13H18FN3/c1-3-4-7-17-12-6-5-10(14)8-11(12)16-13(17)9(2)15/h5-6,8-9H,3-4,7,15H2,1-2H3
InChIKeyWUXNGHAQLDYJEI-UHFFFAOYSA-N
XLogP3.00
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-butyl-5-fluorobenzimidazol-2-yl)ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

3-[2-[1-(diethylamino)ethyl]-5-fluorobenzimidazol-1-yl]propan-1-amine
CID 82310804
4-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]butanamide
CID 60863436
1-(1-nonylbenzimidazol-2-yl)ethanamine
CID 82024716
4-[2-[1-(dimethylamino)ethyl]-5-fluorobenzimidazol-1-yl]butan-1-amine
CID 82310864
2-(1-bromopropyl)-5-fluoro-1-propylbenzimidazole
CID 82332408
1-[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]-N,N-dimethylpropan-1-amine
CID 82310809
1-(5-fluoro-1-propylbenzimidazol-2-yl)-2-phenylethanamine
CID 82331998
3-(1-butyl-5-fluorobenzimidazol-2-yl)propan-1-ol
CID 82332280
1-(5-propan-2-yloxy-1-propylbenzimidazol-2-yl)ethanamine
CID 82335259
1-(1-hexyl-5,6-dimethoxybenzimidazol-2-yl)ethanamine
CID 82024968
1-(5-propoxy-1-propylbenzimidazol-2-yl)ethanamine
CID 82335031
5-(1-butyl-5-fluorobenzimidazol-2-yl)-2-methylaniline
CID 82332135

Frequently Asked Questions

What is the IUPAC name of 1-(1-butyl-5-fluorobenzimidazol-2-yl)ethanamine?
The IUPAC name of 1-(1-butyl-5-fluorobenzimidazol-2-yl)ethanamine (CID 82332092) is 1-(1-butyl-5-fluorobenzimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(1-butyl-5-fluorobenzimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(1-butyl-5-fluorobenzimidazol-2-yl)ethanamine is CCCCn1c(C(C)N)nc2cc(F)ccc21.
What is the InChIKey of 1-(1-butyl-5-fluorobenzimidazol-2-yl)ethanamine?
The InChIKey is WUXNGHAQLDYJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3/c1-3-4-7-17-12-6-5-10(14)8-11(12)16-13(17)9(2)15/h5-6,8-9H,3-4,7,15H2,1-2H3.
What are the key properties of 1-(1-butyl-5-fluorobenzimidazol-2-yl)ethanamine?
1-(1-butyl-5-fluorobenzimidazol-2-yl)ethanamine has a molecular weight of 235.31 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butyl-5-fluorobenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 82332092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).