1-(4-methylphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol

C24H24N2O3 — CID 43837450

IUPAC1-(4-methylphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol
SMILESCc1ccc(OCC(O)Cn2c(COc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C24H24N2O3/c1-18-11-13-21(14-12-18)28-16-19(27)15-26-23-10-6-5-9-22(23)25-24(26)17-29-20-7-3-2-4-8-20/h2-14,19,27H,15-17H2,1H3
InChIKeyMVXDLBDHLVZETC-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.36
Rot. Bonds8

About 1-(4-methylphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol

1-(4-methylphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol (PubChem CID 43837450) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-(4-methylphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(4-methylphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol
PubChem CID43837450
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name1-(4-methylphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol
SMILESCc1ccc(OCC(O)Cn2c(COc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C24H24N2O3/c1-18-11-13-21(14-12-18)28-16-19(27)15-26-23-10-6-5-9-22(23)25-24(26)17-29-20-7-3-2-4-8-20/h2-14,19,27H,15-17H2,1H3
InChIKeyMVXDLBDHLVZETC-UHFFFAOYSA-N
XLogP4.36
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 172933925
1-(4-methylphenoxy)-3-[2-[(2,4,6-trimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol
CID 156620697
1-(4-bromophenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 172933936
1-(3,5-dimethylphenoxy)-3-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol
CID 46270267
1-[2-(phenoxymethyl)benzimidazol-1-yl]-3-propan-2-yloxypropan-2-ol
CID 110882964
(2R)-1-(2-methylbenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol
CID 2062293
(2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-(4-phenylmethoxyphenoxy)propan-2-ol
CID 1317864
1-[2-[(2,4-dimethylphenoxy)methyl]benzimidazol-1-yl]-3-(4-ethylphenoxy)propan-2-ol
CID 156620787
(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-[(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
(2R)-1-(3,4-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol
CID 27408285

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol?
The IUPAC name of 1-(4-methylphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol (CID 43837450) is 1-(4-methylphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-(4-methylphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol?
The canonical SMILES for 1-(4-methylphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol is Cc1ccc(OCC(O)Cn2c(COc3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 1-(4-methylphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol?
The InChIKey is MVXDLBDHLVZETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-18-11-13-21(14-12-18)28-16-19(27)15-26-23-10-6-5-9-22(23)25-24(26)17-29-20-7-3-2-4-8-20/h2-14,19,27H,15-17H2,1H3.
What are the key properties of 1-(4-methylphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol?
1-(4-methylphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol has a molecular weight of 388.47 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol is sourced from PubChem (CID 43837450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).