3-(1-phenylbenzimidazol-5-yl)oxypropane-1,2-diol

C16H16N2O3 — CID 5328504

IUPAC3-(1-phenylbenzimidazol-5-yl)oxypropane-1,2-diol
SMILESOCC(O)COc1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C16H16N2O3/c19-9-13(20)10-21-14-6-7-16-15(8-14)17-11-18(16)12-4-2-1-3-5-12/h1-8,11,13,19-20H,9-10H2
InChIKeyHUQIRIXVWILFRS-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.76
Rot. Bonds5

About 3-(1-phenylbenzimidazol-5-yl)oxypropane-1,2-diol

3-(1-phenylbenzimidazol-5-yl)oxypropane-1,2-diol (PubChem CID 5328504) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-(1-phenylbenzimidazol-5-yl)oxypropane-1,2-diol.

Molecular Properties

Compound Name3-(1-phenylbenzimidazol-5-yl)oxypropane-1,2-diol
PubChem CID5328504
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name3-(1-phenylbenzimidazol-5-yl)oxypropane-1,2-diol
SMILESOCC(O)COc1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C16H16N2O3/c19-9-13(20)10-21-14-6-7-16-15(8-14)17-11-18(16)12-4-2-1-3-5-12/h1-8,11,13,19-20H,9-10H2
InChIKeyHUQIRIXVWILFRS-UHFFFAOYSA-N
XLogP1.76
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylbenzimidazol-5-yl)oxypropane-1,2-diol?
The IUPAC name of 3-(1-phenylbenzimidazol-5-yl)oxypropane-1,2-diol (CID 5328504) is 3-(1-phenylbenzimidazol-5-yl)oxypropane-1,2-diol.
What is the SMILES notation for 3-(1-phenylbenzimidazol-5-yl)oxypropane-1,2-diol?
The canonical SMILES for 3-(1-phenylbenzimidazol-5-yl)oxypropane-1,2-diol is OCC(O)COc1ccc2c(c1)ncn2-c1ccccc1.
What is the InChIKey of 3-(1-phenylbenzimidazol-5-yl)oxypropane-1,2-diol?
The InChIKey is HUQIRIXVWILFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-9-13(20)10-21-14-6-7-16-15(8-14)17-11-18(16)12-4-2-1-3-5-12/h1-8,11,13,19-20H,9-10H2.
What are the key properties of 3-(1-phenylbenzimidazol-5-yl)oxypropane-1,2-diol?
3-(1-phenylbenzimidazol-5-yl)oxypropane-1,2-diol has a molecular weight of 284.31 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylbenzimidazol-5-yl)oxypropane-1,2-diol is sourced from PubChem (CID 5328504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).