(2R)-1-(3,4-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol

C20H24N2O3 — CID 27408285

IUPAC(2R)-1-(3,4-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol
SMILESCOCc1nc2ccccc2n1C[C@@H](O)COc1ccc(C)c(C)c1
InChIInChI=1S/C20H24N2O3/c1-14-8-9-17(10-15(14)2)25-12-16(23)11-22-19-7-5-4-6-18(19)21-20(22)13-24-3/h4-10,16,23H,11-13H2,1-3H3/t16-/m1/s1
InChIKeyRLFBYZQNBDQDBM-MRXNPFEDSA-N
MW340.42 g/mol
LogP3.24
Rot. Bonds7

About (2R)-1-(3,4-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol

(2R)-1-(3,4-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol (PubChem CID 27408285) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2R)-1-(3,4-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3,4-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol
PubChem CID27408285
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(2R)-1-(3,4-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol
SMILESCOCc1nc2ccccc2n1C[C@@H](O)COc1ccc(C)c(C)c1
InChIInChI=1S/C20H24N2O3/c1-14-8-9-17(10-15(14)2)25-12-16(23)11-22-19-7-5-4-6-18(19)21-20(22)13-24-3/h4-10,16,23H,11-13H2,1-3H3/t16-/m1/s1
InChIKeyRLFBYZQNBDQDBM-MRXNPFEDSA-N
XLogP3.24
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-3,5-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol
CID 42653343
1-[2-(3,4-dimethylphenoxy)ethyl]-2-(methoxymethyl)benzimidazole
CID 16996918
(2R)-1-(2-cyclopropylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 27407765
(2R)-1-(4-chloro-3-methylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 92501230
1-(4-methoxyphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 172933925
1-(4-methylphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol
CID 43837450
1-(4-methylphenoxy)-3-[2-[(2,4,6-trimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol
CID 156620697
1-(3,5-dimethylphenoxy)-3-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol
CID 46270267
(2S)-1-(2-cyclohexylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 96571491
1-(2-cyclohexylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 71296329
1-[2-[(2,6-dimethylphenoxy)methyl]benzimidazol-1-yl]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 156620738
1-[2-[(2,6-dimethylphenoxy)methyl]benzimidazol-1-yl]-3-(4-ethylphenoxy)propan-2-ol
CID 156620755

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,4-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-(3,4-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol (CID 27408285) is (2R)-1-(3,4-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-(3,4-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-(3,4-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol is COCc1nc2ccccc2n1C[C@@H](O)COc1ccc(C)c(C)c1.
What is the InChIKey of (2R)-1-(3,4-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol?
The InChIKey is RLFBYZQNBDQDBM-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-8-9-17(10-15(14)2)25-12-16(23)11-22-19-7-5-4-6-18(19)21-20(22)13-24-3/h4-10,16,23H,11-13H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-1-(3,4-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol?
(2R)-1-(3,4-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol has a molecular weight of 340.42 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,4-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol is sourced from PubChem (CID 27408285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).