N-fluoro-1-[3-(4-fluorophenoxy)propyl]benzimidazol-2-amine

C16H15F2N3O — CID 141271301

IUPACN-fluoro-1-[3-(4-fluorophenoxy)propyl]benzimidazol-2-amine
SMILESFNc1nc2ccccc2n1CCCOc1ccc(F)cc1
InChIInChI=1S/C16H15F2N3O/c17-12-6-8-13(9-7-12)22-11-3-10-21-15-5-2-1-4-14(15)19-16(21)20-18/h1-2,4-9H,3,10-11H2,(H,19,20)
InChIKeyHQPRXUVOIAXNAQ-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.94
Rot. Bonds6

About N-fluoro-1-[3-(4-fluorophenoxy)propyl]benzimidazol-2-amine

N-fluoro-1-[3-(4-fluorophenoxy)propyl]benzimidazol-2-amine (PubChem CID 141271301) has the molecular formula C16H15F2N3O and a molecular weight of 303.31 g/mol. Its IUPAC name is N-fluoro-1-[3-(4-fluorophenoxy)propyl]benzimidazol-2-amine.

Molecular Properties

Compound NameN-fluoro-1-[3-(4-fluorophenoxy)propyl]benzimidazol-2-amine
PubChem CID141271301
Molecular FormulaC16H15F2N3O
Molecular Weight303.31 g/mol
Exact Mass303.12
IUPAC NameN-fluoro-1-[3-(4-fluorophenoxy)propyl]benzimidazol-2-amine
SMILESFNc1nc2ccccc2n1CCCOc1ccc(F)cc1
InChIInChI=1S/C16H15F2N3O/c17-12-6-8-13(9-7-12)22-11-3-10-21-15-5-2-1-4-14(15)19-16(21)20-18/h1-2,4-9H,3,10-11H2,(H,19,20)
InChIKeyHQPRXUVOIAXNAQ-UHFFFAOYSA-N
XLogP3.94
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze N-fluoro-1-[3-(4-fluorophenoxy)propyl]benzimidazol-2-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-fluoro-N-[[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17008922
1-[3-(4-bromophenoxy)propyl]benzimidazol-2-amine
CID 2990608
1-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzimidazol-2-amine
CID 82359465
1-[3-(4-methoxyphenoxy)propyl]-2-propan-2-ylbenzimidazole
CID 16996549
1-[(4-fluorophenyl)methyl]-N-[1-[3-(4-methoxyphenoxy)propyl]piperidin-4-yl]benzimidazol-2-amine
CID 12891548
1-[2-(4-fluorophenoxy)ethyl]quinoxalin-2-one
CID 2525579
1-(2-phenoxyethyl)-N-phenylbenzimidazol-2-amine
CID 751751
2-(2-fluorophenyl)-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole
CID 19243406
N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-4-fluorobenzamide
CID 16977369
3-[[1-(2-phenoxyethyl)benzimidazol-2-yl]amino]propan-1-ol
CID 43828964
N-[5-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]pentyl]-4-fluorobenzamide
CID 16991791
2-fluoro-N-[[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17007822

Frequently Asked Questions

What is the IUPAC name of N-fluoro-1-[3-(4-fluorophenoxy)propyl]benzimidazol-2-amine?
The IUPAC name of N-fluoro-1-[3-(4-fluorophenoxy)propyl]benzimidazol-2-amine (CID 141271301) is N-fluoro-1-[3-(4-fluorophenoxy)propyl]benzimidazol-2-amine.
What is the SMILES notation for N-fluoro-1-[3-(4-fluorophenoxy)propyl]benzimidazol-2-amine?
The canonical SMILES for N-fluoro-1-[3-(4-fluorophenoxy)propyl]benzimidazol-2-amine is FNc1nc2ccccc2n1CCCOc1ccc(F)cc1.
What is the InChIKey of N-fluoro-1-[3-(4-fluorophenoxy)propyl]benzimidazol-2-amine?
The InChIKey is HQPRXUVOIAXNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O/c17-12-6-8-13(9-7-12)22-11-3-10-21-15-5-2-1-4-14(15)19-16(21)20-18/h1-2,4-9H,3,10-11H2,(H,19,20).
What are the key properties of N-fluoro-1-[3-(4-fluorophenoxy)propyl]benzimidazol-2-amine?
N-fluoro-1-[3-(4-fluorophenoxy)propyl]benzimidazol-2-amine has a molecular weight of 303.31 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-1-[3-(4-fluorophenoxy)propyl]benzimidazol-2-amine is sourced from PubChem (CID 141271301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).