(2R)-1-(benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol

C17H18N2O2 — CID 819220

IUPAC(2R)-1-(benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OC[C@H](O)Cn1cnc2ccccc21
InChIInChI=1S/C17H18N2O2/c1-13-6-2-5-9-17(13)21-11-14(20)10-19-12-18-15-7-3-4-8-16(15)19/h2-9,12,14,20H,10-11H2,1H3/t14-/m1/s1
InChIKeyFCXYEURTBBRBKD-CQSZACIVSA-N
MW282.34 g/mol
LogP2.78
Rot. Bonds5

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

(2R)-1-(benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol (PubChem CID 819220) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2R)-1-(benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
PubChem CID819220
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(2R)-1-(benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OC[C@H](O)Cn1cnc2ccccc21
InChIInChI=1S/C17H18N2O2/c1-13-6-2-5-9-17(13)21-11-14(20)10-19-12-18-15-7-3-4-8-16(15)19/h2-9,12,14,20H,10-11H2,1H3/t14-/m1/s1
InChIKeyFCXYEURTBBRBKD-CQSZACIVSA-N
XLogP2.78
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(benzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 879495
1-(2-aminophenoxy)-3-(benzimidazol-1-yl)propan-2-ol
CID 62269353
1-(benzimidazol-1-yl)-3-(2-methylquinolin-4-yl)oxypropan-2-ol
CID 10472007
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
(2S)-1-(benzimidazol-1-yl)-3-[(S)-(2-methylphenyl)-phenylmethoxy]propan-2-ol
CID 51545092
1-(benzimidazol-1-yl)butan-2-ol
CID 53276318
(2R)-1-(benzimidazol-1-yl)-3-(4-chlorophenoxy)propan-2-ol
CID 800546
1-(2-methylphenoxy)-3-(1,2,4-triazol-4-yl)propan-2-ol
CID 110877241
methyl 3-[3-(benzimidazol-1-yl)-2-hydroxypropoxy]naphthalene-2-carboxylate
CID 23736459
(2S)-1-(3-methylbenzimidazol-3-ium-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 709194
1-(4-aminophenoxy)-3-(benzimidazol-1-yl)propan-2-ol;dihydrochloride
CID 46736435

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-(benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol (CID 819220) is (2R)-1-(benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-(benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-(benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol is Cc1ccccc1OC[C@H](O)Cn1cnc2ccccc21.
What is the InChIKey of (2R)-1-(benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is FCXYEURTBBRBKD-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-13-6-2-5-9-17(13)21-11-14(20)10-19-12-18-15-7-3-4-8-16(15)19/h2-9,12,14,20H,10-11H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-1-(benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol?
(2R)-1-(benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 282.34 g/mol, XLogP of 2.78, 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-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 819220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).