3-[3-(4-phenoxyphenoxy)propyl]-1,2-dihydrobenzimidazole

C22H22N2O2 — CID 67648219

IUPAC3-[3-(4-phenoxyphenoxy)propyl]-1,2-dihydrobenzimidazole
SMILESc1ccc(Oc2ccc(OCCCN3CNc4ccccc43)cc2)cc1
InChIInChI=1S/C22H22N2O2/c1-2-7-19(8-3-1)26-20-13-11-18(12-14-20)25-16-6-15-24-17-23-21-9-4-5-10-22(21)24/h1-5,7-14,23H,6,15-17H2
InChIKeyALKKWEQNQLIFTF-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.14
Rot. Bonds7

About 3-[3-(4-phenoxyphenoxy)propyl]-1,2-dihydrobenzimidazole

3-[3-(4-phenoxyphenoxy)propyl]-1,2-dihydrobenzimidazole (PubChem CID 67648219) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-[3-(4-phenoxyphenoxy)propyl]-1,2-dihydrobenzimidazole.

Molecular Properties

Compound Name3-[3-(4-phenoxyphenoxy)propyl]-1,2-dihydrobenzimidazole
PubChem CID67648219
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name3-[3-(4-phenoxyphenoxy)propyl]-1,2-dihydrobenzimidazole
SMILESc1ccc(Oc2ccc(OCCCN3CNc4ccccc43)cc2)cc1
InChIInChI=1S/C22H22N2O2/c1-2-7-19(8-3-1)26-20-13-11-18(12-14-20)25-16-6-15-24-17-23-21-9-4-5-10-22(21)24/h1-5,7-14,23H,6,15-17H2
InChIKeyALKKWEQNQLIFTF-UHFFFAOYSA-N
XLogP5.14
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-(4-phenoxyphenoxy)propyl]-1,2-dihydrobenzimidazole 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-dimethyl-4-(3-phenoxypropyl)-1,2-dihydroquinoxaline
CID 82156784
1-(3-phenoxypropyl)piperazine-2,5-dione
CID 64873257
1-phenoxy-4-[2-(4-phenoxyphenoxy)ethyl]benzene
CID 130400104
6,7-dimethyl-4-(4-phenoxybutyl)-2,3-dihydro-1H-quinoxaline
CID 94763730
4-[2-(3-methylphenoxy)ethyl]-2,3-dihydro-1H-quinoxaline
CID 82092614
2-[2-(4-phenoxyphenoxy)ethoxy]pyrimidine
CID 13386761
5-(4-phenoxyphenoxy)pentan-1-ol
CID 62229008
1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94711360
3-(3-phenoxypropyl)-3-azabicyclo[3.2.2]nonane
CID 97356188
1-(3-phenoxypropyl)piperazine
CID 2760351
1-(3-phenoxypropyl)spiro[4H-quinoxaline-3,4'-piperidine]-2-one
CID 70714136
1-(4-methylpentoxy)-4-phenoxybenzene
CID 118535405

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-phenoxyphenoxy)propyl]-1,2-dihydrobenzimidazole?
The IUPAC name of 3-[3-(4-phenoxyphenoxy)propyl]-1,2-dihydrobenzimidazole (CID 67648219) is 3-[3-(4-phenoxyphenoxy)propyl]-1,2-dihydrobenzimidazole.
What is the SMILES notation for 3-[3-(4-phenoxyphenoxy)propyl]-1,2-dihydrobenzimidazole?
The canonical SMILES for 3-[3-(4-phenoxyphenoxy)propyl]-1,2-dihydrobenzimidazole is c1ccc(Oc2ccc(OCCCN3CNc4ccccc43)cc2)cc1.
What is the InChIKey of 3-[3-(4-phenoxyphenoxy)propyl]-1,2-dihydrobenzimidazole?
The InChIKey is ALKKWEQNQLIFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-2-7-19(8-3-1)26-20-13-11-18(12-14-20)25-16-6-15-24-17-23-21-9-4-5-10-22(21)24/h1-5,7-14,23H,6,15-17H2.
What are the key properties of 3-[3-(4-phenoxyphenoxy)propyl]-1,2-dihydrobenzimidazole?
3-[3-(4-phenoxyphenoxy)propyl]-1,2-dihydrobenzimidazole has a molecular weight of 346.43 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-phenoxyphenoxy)propyl]-1,2-dihydrobenzimidazole is sourced from PubChem (CID 67648219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).