4-[1-(4-phenoxybutyl)benzimidazol-2-yl]morpholine

C21H25N3O2 — CID 122190766

IUPAC4-[1-(4-phenoxybutyl)benzimidazol-2-yl]morpholine
SMILESc1ccc(OCCCCn2c(N3CCOCC3)nc3ccccc32)cc1
InChIInChI=1S/C21H25N3O2/c1-2-8-18(9-3-1)26-15-7-6-12-24-20-11-5-4-10-19(20)22-21(24)23-13-16-25-17-14-23/h1-5,8-11H,6-7,12-17H2
InChIKeyLJRFKKLOGXLRAB-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.73
Rot. Bonds7

About 4-[1-(4-phenoxybutyl)benzimidazol-2-yl]morpholine

4-[1-(4-phenoxybutyl)benzimidazol-2-yl]morpholine (PubChem CID 122190766) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-[1-(4-phenoxybutyl)benzimidazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[1-(4-phenoxybutyl)benzimidazol-2-yl]morpholine
PubChem CID122190766
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-[1-(4-phenoxybutyl)benzimidazol-2-yl]morpholine
SMILESc1ccc(OCCCCn2c(N3CCOCC3)nc3ccccc32)cc1
InChIInChI=1S/C21H25N3O2/c1-2-8-18(9-3-1)26-15-7-6-12-24-20-11-5-4-10-19(20)22-21(24)23-13-16-25-17-14-23/h1-5,8-11H,6-7,12-17H2
InChIKeyLJRFKKLOGXLRAB-UHFFFAOYSA-N
XLogP3.73
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-morpholin-4-ylbenzimidazol-1-yl)ethanol
CID 46784646
2-(2-morpholin-4-ylbenzimidazol-1-yl)acetic acid
CID 46784645
4-[1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]benzimidazol-2-yl]morpholine
CID 56914288
trimethyl-[2-[(2-morpholin-4-ylbenzimidazol-1-yl)methoxy]ethyl]silane
CID 156708125
2-cyclopropyl-1-(4-phenoxybutyl)benzimidazole
CID 18878621
methyl 2-(2-morpholin-4-ylbenzimidazol-1-yl)acetate
CID 66492644
[1-(4-phenoxybutyl)benzimidazol-2-yl]methanol
CID 2945062
4-(1-prop-2-enylbenzimidazol-2-yl)morpholine
CID 828615
2-(azepan-1-ylmethyl)-1-(4-phenoxybutyl)benzimidazole
CID 18885402
[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 3545151
2-(4-chlorophenyl)-1-(4-phenoxybutyl)benzimidazole
CID 18879129
2-[(2S)-oxolan-2-yl]-1-(3-phenoxypropyl)benzimidazole
CID 51430251

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-phenoxybutyl)benzimidazol-2-yl]morpholine?
The IUPAC name of 4-[1-(4-phenoxybutyl)benzimidazol-2-yl]morpholine (CID 122190766) is 4-[1-(4-phenoxybutyl)benzimidazol-2-yl]morpholine.
What is the SMILES notation for 4-[1-(4-phenoxybutyl)benzimidazol-2-yl]morpholine?
The canonical SMILES for 4-[1-(4-phenoxybutyl)benzimidazol-2-yl]morpholine is c1ccc(OCCCCn2c(N3CCOCC3)nc3ccccc32)cc1.
What is the InChIKey of 4-[1-(4-phenoxybutyl)benzimidazol-2-yl]morpholine?
The InChIKey is LJRFKKLOGXLRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-2-8-18(9-3-1)26-15-7-6-12-24-20-11-5-4-10-19(20)22-21(24)23-13-16-25-17-14-23/h1-5,8-11H,6-7,12-17H2.
What are the key properties of 4-[1-(4-phenoxybutyl)benzimidazol-2-yl]morpholine?
4-[1-(4-phenoxybutyl)benzimidazol-2-yl]morpholine has a molecular weight of 351.45 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-phenoxybutyl)benzimidazol-2-yl]morpholine is sourced from PubChem (CID 122190766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).