1-(2-aminophenoxy)-3-(benzimidazol-1-yl)propan-2-ol

C16H17N3O2 — CID 62269353

IUPAC1-(2-aminophenoxy)-3-(benzimidazol-1-yl)propan-2-ol
SMILESNc1ccccc1OCC(O)Cn1cnc2ccccc21
InChIInChI=1S/C16H17N3O2/c17-13-5-1-4-8-16(13)21-10-12(20)9-19-11-18-14-6-2-3-7-15(14)19/h1-8,11-12,20H,9-10,17H2
InChIKeyDAQFBULHAGIENV-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.06
Rot. Bonds5

About 1-(2-aminophenoxy)-3-(benzimidazol-1-yl)propan-2-ol

1-(2-aminophenoxy)-3-(benzimidazol-1-yl)propan-2-ol (PubChem CID 62269353) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(2-aminophenoxy)-3-(benzimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-aminophenoxy)-3-(benzimidazol-1-yl)propan-2-ol
PubChem CID62269353
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-(2-aminophenoxy)-3-(benzimidazol-1-yl)propan-2-ol
SMILESNc1ccccc1OCC(O)Cn1cnc2ccccc21
InChIInChI=1S/C16H17N3O2/c17-13-5-1-4-8-16(13)21-10-12(20)9-19-11-18-14-6-2-3-7-15(14)19/h1-8,11-12,20H,9-10,17H2
InChIKeyDAQFBULHAGIENV-UHFFFAOYSA-N
XLogP2.06
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(benzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 879495
(2R)-1-(benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 819220
1-(4-aminophenoxy)-3-(benzimidazol-1-yl)propan-2-ol;dihydrochloride
CID 46736435
1-(benzimidazol-1-yl)-3-(4-iodophenoxy)propan-2-ol
CID 583226
(2R)-1-(benzimidazol-1-yl)-3-(4-iodophenoxy)propan-2-ol
CID 1120288
(2R)-1-(benzimidazol-1-yl)-3-(4-chlorophenoxy)propan-2-ol
CID 800546
1-(benzimidazol-1-yl)-3-(2-methylquinolin-4-yl)oxypropan-2-ol
CID 10472007
1-(benzimidazol-1-yl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 23992237
1-(benzimidazol-1-yl)butan-2-ol
CID 53276318
methyl 3-[3-(benzimidazol-1-yl)-2-hydroxypropoxy]naphthalene-2-carboxylate
CID 23736459
1-(2-aminophenoxy)-3-(2-iodophenoxy)propan-2-ol
CID 62268837
2-[(2S)-3-(benzimidazol-1-yl)-2-hydroxypropoxy]anthracene-9,10-dione
CID 7182495

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenoxy)-3-(benzimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-(2-aminophenoxy)-3-(benzimidazol-1-yl)propan-2-ol (CID 62269353) is 1-(2-aminophenoxy)-3-(benzimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2-aminophenoxy)-3-(benzimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(2-aminophenoxy)-3-(benzimidazol-1-yl)propan-2-ol is Nc1ccccc1OCC(O)Cn1cnc2ccccc21.
What is the InChIKey of 1-(2-aminophenoxy)-3-(benzimidazol-1-yl)propan-2-ol?
The InChIKey is DAQFBULHAGIENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c17-13-5-1-4-8-16(13)21-10-12(20)9-19-11-18-14-6-2-3-7-15(14)19/h1-8,11-12,20H,9-10,17H2.
What are the key properties of 1-(2-aminophenoxy)-3-(benzimidazol-1-yl)propan-2-ol?
1-(2-aminophenoxy)-3-(benzimidazol-1-yl)propan-2-ol has a molecular weight of 283.33 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenoxy)-3-(benzimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 62269353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).