3-[2-(2-phenyl-1,3-dioxolan-2-yl)benzimidazol-1-yl]propane-1,2-diol

C19H20N2O4 — CID 13162294

IUPAC3-[2-(2-phenyl-1,3-dioxolan-2-yl)benzimidazol-1-yl]propane-1,2-diol
SMILESOCC(O)Cn1c(C2(c3ccccc3)OCCO2)nc2ccccc21
InChIInChI=1S/C19H20N2O4/c22-13-15(23)12-21-17-9-5-4-8-16(17)20-18(21)19(24-10-11-25-19)14-6-2-1-3-7-14/h1-9,15,22-23H,10-13H2
InChIKeyYDMRRWSUAQHJKT-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.64
Rot. Bonds5

About 3-[2-(2-phenyl-1,3-dioxolan-2-yl)benzimidazol-1-yl]propane-1,2-diol

3-[2-(2-phenyl-1,3-dioxolan-2-yl)benzimidazol-1-yl]propane-1,2-diol (PubChem CID 13162294) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[2-(2-phenyl-1,3-dioxolan-2-yl)benzimidazol-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(2-phenyl-1,3-dioxolan-2-yl)benzimidazol-1-yl]propane-1,2-diol
PubChem CID13162294
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-[2-(2-phenyl-1,3-dioxolan-2-yl)benzimidazol-1-yl]propane-1,2-diol
SMILESOCC(O)Cn1c(C2(c3ccccc3)OCCO2)nc2ccccc21
InChIInChI=1S/C19H20N2O4/c22-13-15(23)12-21-17-9-5-4-8-16(17)20-18(21)19(24-10-11-25-19)14-6-2-1-3-7-14/h1-9,15,22-23H,10-13H2
InChIKeyYDMRRWSUAQHJKT-UHFFFAOYSA-N
XLogP1.64
TPSA76.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2,3-dihydroxypropyl)benzimidazol-2-yl]-phenylmethanone
CID 3059108
3-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]propane-1,2-diol
CID 2772502
3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propane-1,2-diol
CID 45144782
1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 12515389
3-[2-(4-tert-butylphenyl)benzimidazol-1-yl]propane-1,2-diol
CID 84571502
3-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]propane-1,2-diol
CID 45144760
(2R)-1-carbazol-9-yl-3-[2-[(1R)-1-hydroxyethyl]benzimidazol-1-yl]propan-2-ol
CID 7000828
1-morpholin-4-yl-3-(2-propylbenzimidazol-1-yl)propan-2-ol
CID 110879081
1-(2-benzylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol
CID 2861179
(2S)-1-[2-(hydroxymethyl)benzimidazol-1-yl]-3-indol-1-ylpropan-2-ol
CID 1248606
2-(2-morpholin-4-ylbenzimidazol-1-yl)ethanol
CID 46784646
1-(2-bromoethoxy)-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazole
CID 12515577

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-phenyl-1,3-dioxolan-2-yl)benzimidazol-1-yl]propane-1,2-diol?
The IUPAC name of 3-[2-(2-phenyl-1,3-dioxolan-2-yl)benzimidazol-1-yl]propane-1,2-diol (CID 13162294) is 3-[2-(2-phenyl-1,3-dioxolan-2-yl)benzimidazol-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[2-(2-phenyl-1,3-dioxolan-2-yl)benzimidazol-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[2-(2-phenyl-1,3-dioxolan-2-yl)benzimidazol-1-yl]propane-1,2-diol is OCC(O)Cn1c(C2(c3ccccc3)OCCO2)nc2ccccc21.
What is the InChIKey of 3-[2-(2-phenyl-1,3-dioxolan-2-yl)benzimidazol-1-yl]propane-1,2-diol?
The InChIKey is YDMRRWSUAQHJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-13-15(23)12-21-17-9-5-4-8-16(17)20-18(21)19(24-10-11-25-19)14-6-2-1-3-7-14/h1-9,15,22-23H,10-13H2.
What are the key properties of 3-[2-(2-phenyl-1,3-dioxolan-2-yl)benzimidazol-1-yl]propane-1,2-diol?
3-[2-(2-phenyl-1,3-dioxolan-2-yl)benzimidazol-1-yl]propane-1,2-diol has a molecular weight of 340.38 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-phenyl-1,3-dioxolan-2-yl)benzimidazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 13162294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).