(2R)-1-(benzimidazol-1-yl)-3-(4-chlorophenoxy)propan-2-ol

C16H15ClN2O2 — CID 800546

IUPAC(2R)-1-(benzimidazol-1-yl)-3-(4-chlorophenoxy)propan-2-ol
SMILESO[C@@H](COc1ccc(Cl)cc1)Cn1cnc2ccccc21
InChIInChI=1S/C16H15ClN2O2/c17-12-5-7-14(8-6-12)21-10-13(20)9-19-11-18-15-3-1-2-4-16(15)19/h1-8,11,13,20H,9-10H2/t13-/m1/s1
InChIKeyJOFOYXMAGJZYCX-CYBMUJFWSA-N
MW302.76 g/mol
LogP3.13
Rot. Bonds5

About (2R)-1-(benzimidazol-1-yl)-3-(4-chlorophenoxy)propan-2-ol

(2R)-1-(benzimidazol-1-yl)-3-(4-chlorophenoxy)propan-2-ol (PubChem CID 800546) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is (2R)-1-(benzimidazol-1-yl)-3-(4-chlorophenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(benzimidazol-1-yl)-3-(4-chlorophenoxy)propan-2-ol
PubChem CID800546
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name(2R)-1-(benzimidazol-1-yl)-3-(4-chlorophenoxy)propan-2-ol
SMILESO[C@@H](COc1ccc(Cl)cc1)Cn1cnc2ccccc21
InChIInChI=1S/C16H15ClN2O2/c17-12-5-7-14(8-6-12)21-10-13(20)9-19-11-18-15-3-1-2-4-16(15)19/h1-8,11,13,20H,9-10H2/t13-/m1/s1
InChIKeyJOFOYXMAGJZYCX-CYBMUJFWSA-N
XLogP3.13
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-(4-aminophenoxy)-3-(benzimidazol-1-yl)propan-2-ol;dihydrochloride
CID 46736435
1-(benzimidazol-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol
CID 16553417
2-[(2S)-3-(benzimidazol-1-yl)-2-hydroxypropoxy]anthracene-9,10-dione
CID 7182495
(2R)-1-(benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 819220
1-(2-aminophenoxy)-3-(benzimidazol-1-yl)propan-2-ol
CID 62269353
(2S)-1-(benzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 879495
1-[2-(4-chlorophenoxy)ethyl]benzimidazole
CID 803004
3-[3-(benzimidazol-1-yl)-2-hydroxypropoxy]benzoic acid
CID 3130415
(2R)-1-(4-chlorophenoxy)-3-[3-(hydroxymethyl)indol-1-yl]propan-2-ol
CID 40501058
1-(benzimidazol-1-yl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 105086748

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(benzimidazol-1-yl)-3-(4-chlorophenoxy)propan-2-ol?
The IUPAC name of (2R)-1-(benzimidazol-1-yl)-3-(4-chlorophenoxy)propan-2-ol (CID 800546) is (2R)-1-(benzimidazol-1-yl)-3-(4-chlorophenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-(benzimidazol-1-yl)-3-(4-chlorophenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-(benzimidazol-1-yl)-3-(4-chlorophenoxy)propan-2-ol is O[C@@H](COc1ccc(Cl)cc1)Cn1cnc2ccccc21.
What is the InChIKey of (2R)-1-(benzimidazol-1-yl)-3-(4-chlorophenoxy)propan-2-ol?
The InChIKey is JOFOYXMAGJZYCX-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c17-12-5-7-14(8-6-12)21-10-13(20)9-19-11-18-15-3-1-2-4-16(15)19/h1-8,11,13,20H,9-10H2/t13-/m1/s1.
What are the key properties of (2R)-1-(benzimidazol-1-yl)-3-(4-chlorophenoxy)propan-2-ol?
(2R)-1-(benzimidazol-1-yl)-3-(4-chlorophenoxy)propan-2-ol has a molecular weight of 302.76 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(benzimidazol-1-yl)-3-(4-chlorophenoxy)propan-2-ol is sourced from PubChem (CID 800546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).