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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Related Compounds

6-Methoxy-1-phenyl-1H-benzimidazole
CID 652633
1-Phenyl-5-hydroxybenzimidazole
CID 667662
1H-Benzimidazole, 5-methoxy-1-phenyl-
CID 5328466
5-ethoxy-1-phenyl-1H-1,3-benzodiazole
CID 5328497
1-phenyl-5-propoxy-1H-1,3-benzodiazole
CID 5328498
1-phenyl-5-(prop-2-en-1-yloxy)-1H-1,3-benzodiazole
CID 5328501
4-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]butan-1-ol
CID 5328502
5-(2,3-Epoxypropoxy)-1-phenylbenzimidazole
CID 5328503
5-Substituted 1-Phenylbenzimidazole 15
CID 5328505
dimethyl({3-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]propyl})amine
CID 5328507
dimethyl({4-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]butyl})amine
CID 5328508
5-Substituted 1-Phenylbenzimidazole 19
CID 5328509

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).