(2R)-1-(2-chlorophenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol

C17H17ClN2O2 — CID 877426

IUPAC(2R)-1-(2-chlorophenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
SMILESCc1nc2ccccc2n1C[C@@H](O)COc1ccccc1Cl
InChIInChI=1S/C17H17ClN2O2/c1-12-19-15-7-3-4-8-16(15)20(12)10-13(21)11-22-17-9-5-2-6-14(17)18/h2-9,13,21H,10-11H2,1H3/t13-/m1/s1
InChIKeyQSNHAWLIONBKPZ-CYBMUJFWSA-N
MW316.79 g/mol
LogP3.44
Rot. Bonds5

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

(2R)-1-(2-chlorophenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol (PubChem CID 877426) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is (2R)-1-(2-chlorophenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-chlorophenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
PubChem CID877426
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name(2R)-1-(2-chlorophenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
SMILESCc1nc2ccccc2n1C[C@@H](O)COc1ccccc1Cl
InChIInChI=1S/C17H17ClN2O2/c1-12-19-15-7-3-4-8-16(15)20(12)10-13(21)11-22-17-9-5-2-6-14(17)18/h2-9,13,21H,10-11H2,1H3/t13-/m1/s1
InChIKeyQSNHAWLIONBKPZ-CYBMUJFWSA-N
XLogP3.44
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(2-methoxyphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 879417
1-(2,3-dimethylphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 46270242
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenoxy]-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 1151095
1-[2-[(2S)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]ethanone
CID 1090509
1-(2-methylbenzimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 3152611
(2R)-1-(2-methylbenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol
CID 2062293
1-(2-chloro-4-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol
CID 138960959
1-(2-methylbenzimidazol-1-yl)-3-(4-methyl-2-prop-2-enylphenoxy)propan-2-ol
CID 4105773
1-(2-chlorophenyl)-2-(2-methylbenzimidazol-1-yl)ethanol
CID 47276894
2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol
CID 134100901
(4R)-1-tert-butyl-4-[1-[(2S)-3-(2-chlorophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 96571177
(2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2-chloro-5-methylphenoxy)propan-2-ol
CID 26741924

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-chlorophenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(2-chlorophenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol (CID 877426) is (2R)-1-(2-chlorophenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(2-chlorophenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(2-chlorophenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol is Cc1nc2ccccc2n1C[C@@H](O)COc1ccccc1Cl.
What is the InChIKey of (2R)-1-(2-chlorophenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol?
The InChIKey is QSNHAWLIONBKPZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-12-19-15-7-3-4-8-16(15)20(12)10-13(21)11-22-17-9-5-2-6-14(17)18/h2-9,13,21H,10-11H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-1-(2-chlorophenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol?
(2R)-1-(2-chlorophenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol has a molecular weight of 316.79 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-chlorophenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 877426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).