3-[[1-(2-phenoxyethyl)benzimidazol-2-yl]amino]propan-1-ol

C18H21N3O2 — CID 43828964

IUPAC3-[[1-(2-phenoxyethyl)benzimidazol-2-yl]amino]propan-1-ol
SMILESOCCCNc1nc2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C18H21N3O2/c22-13-6-11-19-18-20-16-9-4-5-10-17(16)21(18)12-14-23-15-7-2-1-3-8-15/h1-5,7-10,22H,6,11-14H2,(H,19,20)
InChIKeyVWBKSRLYAGXLRN-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.91
Rot. Bonds8

About 3-[[1-(2-phenoxyethyl)benzimidazol-2-yl]amino]propan-1-ol

3-[[1-(2-phenoxyethyl)benzimidazol-2-yl]amino]propan-1-ol (PubChem CID 43828964) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-[[1-(2-phenoxyethyl)benzimidazol-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[1-(2-phenoxyethyl)benzimidazol-2-yl]amino]propan-1-ol
PubChem CID43828964
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name3-[[1-(2-phenoxyethyl)benzimidazol-2-yl]amino]propan-1-ol
SMILESOCCCNc1nc2ccccc2n1CCOc1ccccc1
InChIInChI=1S/C18H21N3O2/c22-13-6-11-19-18-20-16-9-4-5-10-17(16)21(18)12-14-23-15-7-2-1-3-8-15/h1-5,7-10,22H,6,11-14H2,(H,19,20)
InChIKeyVWBKSRLYAGXLRN-UHFFFAOYSA-N
XLogP2.91
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-phenoxyethyl)-N-phenylbenzimidazol-2-amine
CID 751751
3-[(1-heptylbenzimidazol-2-yl)amino]propan-1-ol;hydrobromide
CID 2852129
N-[(2-chlorophenyl)methyl]-1-(2-phenoxyethyl)benzimidazol-2-amine
CID 68541525
1-(2-phenoxyethyl)-N-(1,2,4-triazol-4-yl)benzimidazol-2-amine
CID 1298158
2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-phenylethanone
CID 2850068
2-[[1-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-yl]amino]ethanol
CID 166184268
2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone
CID 2850347
1-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzimidazol-2-amine
CID 82359465
2-[(1-pentylbenzimidazol-2-yl)amino]ethanol
CID 4697809
2-[2-(3-phenoxypropyl)benzimidazol-1-yl]ethanol
CID 82149283
methyl 2-[4-[2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]acetyl]phenoxy]acetate bromide
CID 53351445
1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 709525

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-phenoxyethyl)benzimidazol-2-yl]amino]propan-1-ol?
The IUPAC name of 3-[[1-(2-phenoxyethyl)benzimidazol-2-yl]amino]propan-1-ol (CID 43828964) is 3-[[1-(2-phenoxyethyl)benzimidazol-2-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[1-(2-phenoxyethyl)benzimidazol-2-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[1-(2-phenoxyethyl)benzimidazol-2-yl]amino]propan-1-ol is OCCCNc1nc2ccccc2n1CCOc1ccccc1.
What is the InChIKey of 3-[[1-(2-phenoxyethyl)benzimidazol-2-yl]amino]propan-1-ol?
The InChIKey is VWBKSRLYAGXLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-13-6-11-19-18-20-16-9-4-5-10-17(16)21(18)12-14-23-15-7-2-1-3-8-15/h1-5,7-10,22H,6,11-14H2,(H,19,20).
What are the key properties of 3-[[1-(2-phenoxyethyl)benzimidazol-2-yl]amino]propan-1-ol?
3-[[1-(2-phenoxyethyl)benzimidazol-2-yl]amino]propan-1-ol has a molecular weight of 311.38 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-phenoxyethyl)benzimidazol-2-yl]amino]propan-1-ol is sourced from PubChem (CID 43828964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).