3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine

C13H18FN3 — CID 60785241

IUPAC3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
SMILESCC(C)n1c(CCCN)nc2c(F)cccc21
InChIInChI=1S/C13H18FN3/c1-9(2)17-11-6-3-5-10(14)13(11)16-12(17)7-4-8-15/h3,5-6,9H,4,7-8,15H2,1-2H3
InChIKeyFASRNCIHELIHCP-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.65
Rot. Bonds4

About 3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine

3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine (PubChem CID 60785241) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
PubChem CID60785241
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC Name3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
SMILESCC(C)n1c(CCCN)nc2c(F)cccc21
InChIInChI=1S/C13H18FN3/c1-9(2)17-11-6-3-5-10(14)13(11)16-12(17)7-4-8-15/h3,5-6,9H,4,7-8,15H2,1-2H3
InChIKeyFASRNCIHELIHCP-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-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

Related Compounds

4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)butanoic acid
CID 54919931
N-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
CID 63066063
4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]phenol
CID 60784171
ethyl 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)acetate
CID 79475353
4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 60784948
2-amino-1-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanol
CID 66165047
2-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methylsulfanyl]acetic acid
CID 113427889
2-(aminomethyl)-1-propan-2-ylbenzimidazol-4-amine
CID 84777995
3-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 54919824
2-(2-chloroethyl)-4-fluoro-1-(1-thiophen-2-ylethyl)benzimidazole
CID 60790001
2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-2-ol
CID 177073307
2-(chloromethyl)-4-fluoro-1-pentan-3-ylbenzimidazole
CID 60789840

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine?
The IUPAC name of 3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine (CID 60785241) is 3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine is CC(C)n1c(CCCN)nc2c(F)cccc21.
What is the InChIKey of 3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine?
The InChIKey is FASRNCIHELIHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3/c1-9(2)17-11-6-3-5-10(14)13(11)16-12(17)7-4-8-15/h3,5-6,9H,4,7-8,15H2,1-2H3.
What are the key properties of 3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine?
3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine has a molecular weight of 235.31 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 60785241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).