1-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-2,4,6-trichlorobenzimidazole

C25H23Cl3N2O3 — CID 10553589

IUPAC1-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-2,4,6-trichlorobenzimidazole
SMILESClc1cc(Cl)c2nc(Cl)n(COC(COCc3ccccc3)COCc3ccccc3)c2c1
InChIInChI=1S/C25H23Cl3N2O3/c26-20-11-22(27)24-23(12-20)30(25(28)29-24)17-33-21(15-31-13-18-7-3-1-4-8-18)16-32-14-19-9-5-2-6-10-19/h1-12,21H,13-17H2
InChIKeyOZSJMNJJVLEACS-UHFFFAOYSA-N
MW505.83 g/mol
LogP6.77
Rot. Bonds11

About 1-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-2,4,6-trichlorobenzimidazole

1-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-2,4,6-trichlorobenzimidazole (PubChem CID 10553589) has the molecular formula C25H23Cl3N2O3 and a molecular weight of 505.83 g/mol. Its IUPAC name is 1-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-2,4,6-trichlorobenzimidazole.

Molecular Properties

Compound Name1-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-2,4,6-trichlorobenzimidazole
PubChem CID10553589
Molecular FormulaC25H23Cl3N2O3
Molecular Weight505.83 g/mol
Exact Mass504.08
IUPAC Name1-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-2,4,6-trichlorobenzimidazole
SMILESClc1cc(Cl)c2nc(Cl)n(COC(COCc3ccccc3)COCc3ccccc3)c2c1
InChIInChI=1S/C25H23Cl3N2O3/c26-20-11-22(27)24-23(12-20)30(25(28)29-24)17-33-21(15-31-13-18-7-3-1-4-8-18)16-32-14-19-9-5-2-6-10-19/h1-12,21H,13-17H2
InChIKeyOZSJMNJJVLEACS-UHFFFAOYSA-N
XLogP6.77
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.83
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[2,3-bis(phenylmethoxy)propoxymethoxy]-3-phenylmethoxypropan-2-yl]oxymethylbenzene
CID 57272060
4,5-dibromo-2-chloro-1-(phenylmethoxymethyl)imidazole
CID 25215098
[(2R)-2-ethoxy-3-(methoxymethoxy)propoxy]methylbenzene
CID 140879389
(2-hydroperoxy-3-phenylmethoxypropoxy)methylbenzene
CID 12994155
2-phenylmethoxyethane-1,1-diol
CID 59866645
2-ethoxy-3-phenylmethoxypropan-1-amine
CID 63069675
[(1R,2S)-2-phenylmethoxy-1-[(1S,2R)-1,2,3-tris(phenylmethoxy)propyl]but-3-enoxy]methylbenzene
CID 101489173
3-[1,3-bis[1,3-bis(phenylmethoxy)propan-2-yloxy]propan-2-yloxy]propane-1,2-diol
CID 10508688
[(2R)-1-chloro-3-phenylmethoxypropan-2-yl]oxy-trimethylsilane
CID 71446134
[(2S,3S,4R)-2,3-bis(methoxymethoxy)-4-phenylmethoxyhex-5-enoxy]methylbenzene
CID 122213469
[2-(chloromethylsulfanyl)-3-phenylmethoxypropoxy]methylbenzene
CID 15612776
[(1S,2R,3R)-1-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2,3,4-tris(phenylmethoxy)butoxy]methylbenzene
CID 99647470

Frequently Asked Questions

What is the IUPAC name of 1-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-2,4,6-trichlorobenzimidazole?
The IUPAC name of 1-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-2,4,6-trichlorobenzimidazole (CID 10553589) is 1-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-2,4,6-trichlorobenzimidazole.
What is the SMILES notation for 1-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-2,4,6-trichlorobenzimidazole?
The canonical SMILES for 1-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-2,4,6-trichlorobenzimidazole is Clc1cc(Cl)c2nc(Cl)n(COC(COCc3ccccc3)COCc3ccccc3)c2c1.
What is the InChIKey of 1-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-2,4,6-trichlorobenzimidazole?
The InChIKey is OZSJMNJJVLEACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl3N2O3/c26-20-11-22(27)24-23(12-20)30(25(28)29-24)17-33-21(15-31-13-18-7-3-1-4-8-18)16-32-14-19-9-5-2-6-10-19/h1-12,21H,13-17H2.
What are the key properties of 1-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-2,4,6-trichlorobenzimidazole?
1-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-2,4,6-trichlorobenzimidazole has a molecular weight of 505.83 g/mol, XLogP of 6.77, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-bis(phenylmethoxy)propan-2-yloxymethyl]-2,4,6-trichlorobenzimidazole is sourced from PubChem (CID 10553589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).