1-[3-[2-chloro-4-(4-fluorophenyl)phenoxy]propyl]-6-(4-fluorophenyl)benzimidazol-2-amine

C28H22ClF2N3O — CID 121335107

IUPAC1-[3-[2-chloro-4-(4-fluorophenyl)phenoxy]propyl]-6-(4-fluorophenyl)benzimidazol-2-amine
SMILESNc1nc2ccc(-c3ccc(F)cc3)cc2n1CCCOc1ccc(-c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C28H22ClF2N3O/c29-24-16-20(18-2-8-22(30)9-3-18)7-13-27(24)35-15-1-14-34-26-17-21(6-12-25(26)33-28(34)32)19-4-10-23(31)11-5-19/h2-13,16-17H,1,14-15H2,(H2,32,33)
InChIKeyFFOZTDSZPOGNIZ-UHFFFAOYSA-N
MW489.95 g/mol
LogP7.35
Rot. Bonds7

About 1-[3-[2-chloro-4-(4-fluorophenyl)phenoxy]propyl]-6-(4-fluorophenyl)benzimidazol-2-amine

1-[3-[2-chloro-4-(4-fluorophenyl)phenoxy]propyl]-6-(4-fluorophenyl)benzimidazol-2-amine (PubChem CID 121335107) has the molecular formula C28H22ClF2N3O and a molecular weight of 489.95 g/mol. Its IUPAC name is 1-[3-[2-chloro-4-(4-fluorophenyl)phenoxy]propyl]-6-(4-fluorophenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-[3-[2-chloro-4-(4-fluorophenyl)phenoxy]propyl]-6-(4-fluorophenyl)benzimidazol-2-amine
PubChem CID121335107
Molecular FormulaC28H22ClF2N3O
Molecular Weight489.95 g/mol
Exact Mass489.14
IUPAC Name1-[3-[2-chloro-4-(4-fluorophenyl)phenoxy]propyl]-6-(4-fluorophenyl)benzimidazol-2-amine
SMILESNc1nc2ccc(-c3ccc(F)cc3)cc2n1CCCOc1ccc(-c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C28H22ClF2N3O/c29-24-16-20(18-2-8-22(30)9-3-18)7-13-27(24)35-15-1-14-34-26-17-21(6-12-25(26)33-28(34)32)19-4-10-23(31)11-5-19/h2-13,16-17H,1,14-15H2,(H2,32,33)
InChIKeyFFOZTDSZPOGNIZ-UHFFFAOYSA-N
XLogP7.35
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.95
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-[2-chloro-4-(4-fluorophenyl)phenoxy]propyl]-6-(4-fluorophenyl)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

3-[3-[2-chloro-4-(4-fluorophenyl)phenoxy]propyl]-5-(4-fluorophenyl)-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-imine
CID 121335157
6-chloro-1-(3-phenoxypropyl)benzimidazol-2-amine
CID 115470592
6-fluoro-1-pentylbenzimidazol-2-amine
CID 62378390
6-fluoro-1-(2-phenoxyethyl)benzimidazol-2-amine
CID 62376847
5-chloro-6-fluoro-1-[2-(4-fluorophenyl)ethyl]benzimidazol-2-amine
CID 66078679
6-bromo-1-(3-methoxypropyl)benzimidazol-2-amine
CID 65347072
(4R)-4-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 40814109
1-[3-(4-chloro-3-propoxyphenyl)propyl]benzimidazol-2-amine
CID 21484153
1-[4-(2-chlorophenoxy)butyl]-2-(4-chlorophenyl)benzimidazole
CID 17001082
4-(2-chloro-4-fluorophenoxy)butan-1-amine
CID 60971169
ethyl 3-(2-amino-6-fluorobenzimidazol-1-yl)propanoate
CID 62376679
6-fluoro-1-(2-pyrazol-1-ylethyl)benzimidazol-2-amine
CID 62378399

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-chloro-4-(4-fluorophenyl)phenoxy]propyl]-6-(4-fluorophenyl)benzimidazol-2-amine?
The IUPAC name of 1-[3-[2-chloro-4-(4-fluorophenyl)phenoxy]propyl]-6-(4-fluorophenyl)benzimidazol-2-amine (CID 121335107) is 1-[3-[2-chloro-4-(4-fluorophenyl)phenoxy]propyl]-6-(4-fluorophenyl)benzimidazol-2-amine.
What is the SMILES notation for 1-[3-[2-chloro-4-(4-fluorophenyl)phenoxy]propyl]-6-(4-fluorophenyl)benzimidazol-2-amine?
The canonical SMILES for 1-[3-[2-chloro-4-(4-fluorophenyl)phenoxy]propyl]-6-(4-fluorophenyl)benzimidazol-2-amine is Nc1nc2ccc(-c3ccc(F)cc3)cc2n1CCCOc1ccc(-c2ccc(F)cc2)cc1Cl.
What is the InChIKey of 1-[3-[2-chloro-4-(4-fluorophenyl)phenoxy]propyl]-6-(4-fluorophenyl)benzimidazol-2-amine?
The InChIKey is FFOZTDSZPOGNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClF2N3O/c29-24-16-20(18-2-8-22(30)9-3-18)7-13-27(24)35-15-1-14-34-26-17-21(6-12-25(26)33-28(34)32)19-4-10-23(31)11-5-19/h2-13,16-17H,1,14-15H2,(H2,32,33).
What are the key properties of 1-[3-[2-chloro-4-(4-fluorophenyl)phenoxy]propyl]-6-(4-fluorophenyl)benzimidazol-2-amine?
1-[3-[2-chloro-4-(4-fluorophenyl)phenoxy]propyl]-6-(4-fluorophenyl)benzimidazol-2-amine has a molecular weight of 489.95 g/mol, XLogP of 7.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-chloro-4-(4-fluorophenyl)phenoxy]propyl]-6-(4-fluorophenyl)benzimidazol-2-amine is sourced from PubChem (CID 121335107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).