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

C20H24N2O3 — CID 110882964

IUPAC1-[2-(phenoxymethyl)benzimidazol-1-yl]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)Cn1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C20H24N2O3/c1-15(2)24-13-16(23)12-22-19-11-7-6-10-18(19)21-20(22)14-25-17-8-4-3-5-9-17/h3-11,15-16,23H,12-14H2,1-2H3
InChIKeyVNAGYDHNXCQCCZ-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.40
Rot. Bonds8

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

1-[2-(phenoxymethyl)benzimidazol-1-yl]-3-propan-2-yloxypropan-2-ol (PubChem CID 110882964) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[2-(phenoxymethyl)benzimidazol-1-yl]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(phenoxymethyl)benzimidazol-1-yl]-3-propan-2-yloxypropan-2-ol
PubChem CID110882964
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-[2-(phenoxymethyl)benzimidazol-1-yl]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)Cn1c(COc2ccccc2)nc2ccccc21
InChIInChI=1S/C20H24N2O3/c1-15(2)24-13-16(23)12-22-19-11-7-6-10-18(19)21-20(22)14-25-17-8-4-3-5-9-17/h3-11,15-16,23H,12-14H2,1-2H3
InChIKeyVNAGYDHNXCQCCZ-UHFFFAOYSA-N
XLogP3.40
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.40
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-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol
CID 43837450
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
2-methyl-3-[2-(phenoxymethyl)benzimidazol-1-yl]propanethioamide
CID 82150314
(2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-(4-phenylmethoxyphenoxy)propan-2-ol
CID 1317864
1-[2-[(2,6-dimethylphenoxy)methyl]benzimidazol-1-yl]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 156620738
1-(4-methylphenoxy)-3-[2-[(2,4,6-trimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol
CID 156620697
(2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 766470
(2S)-1-(2,3-dimethylphenoxy)-3-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol
CID 92501255
(2R)-1-(2-ethylbenzimidazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol
CID 27408227
1-(1-phenylpropoxy)-3-[2-[(2,4,6-trimethylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol
CID 156620726

Frequently Asked Questions

What is the IUPAC name of 1-[2-(phenoxymethyl)benzimidazol-1-yl]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[2-(phenoxymethyl)benzimidazol-1-yl]-3-propan-2-yloxypropan-2-ol (CID 110882964) is 1-[2-(phenoxymethyl)benzimidazol-1-yl]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[2-(phenoxymethyl)benzimidazol-1-yl]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[2-(phenoxymethyl)benzimidazol-1-yl]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)Cn1c(COc2ccccc2)nc2ccccc21.
What is the InChIKey of 1-[2-(phenoxymethyl)benzimidazol-1-yl]-3-propan-2-yloxypropan-2-ol?
The InChIKey is VNAGYDHNXCQCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15(2)24-13-16(23)12-22-19-11-7-6-10-18(19)21-20(22)14-25-17-8-4-3-5-9-17/h3-11,15-16,23H,12-14H2,1-2H3.
What are the key properties of 1-[2-(phenoxymethyl)benzimidazol-1-yl]-3-propan-2-yloxypropan-2-ol?
1-[2-(phenoxymethyl)benzimidazol-1-yl]-3-propan-2-yloxypropan-2-ol has a molecular weight of 340.42 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(phenoxymethyl)benzimidazol-1-yl]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 110882964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).