2-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]propane-1,3-diol

C26H28N2O3 — CID 118519289

IUPAC2-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]propane-1,3-diol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CC(CO)CO)cc21
InChIInChI=1S/C26H28N2O3/c1-2-28-24-16-19(15-20(17-29)18-30)13-14-23(24)27-25(28)26(31,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,16,20,29-31H,2,15,17-18H2,1H3
InChIKeyIQYYEUAXOYIPHT-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.48
Rot. Bonds8

About 2-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]propane-1,3-diol

2-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]propane-1,3-diol (PubChem CID 118519289) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]propane-1,3-diol
PubChem CID118519289
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name2-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]propane-1,3-diol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CC(CO)CO)cc21
InChIInChI=1S/C26H28N2O3/c1-2-28-24-16-19(15-20(17-29)18-30)13-14-23(24)27-25(28)26(31,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,16,20,29-31H,2,15,17-18H2,1H3
InChIKeyIQYYEUAXOYIPHT-UHFFFAOYSA-N
XLogP3.48
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]propane-1,3-diol?
The IUPAC name of 2-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]propane-1,3-diol (CID 118519289) is 2-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]propane-1,3-diol.
What is the SMILES notation for 2-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]propane-1,3-diol?
The canonical SMILES for 2-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]propane-1,3-diol is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CC(CO)CO)cc21.
What is the InChIKey of 2-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]propane-1,3-diol?
The InChIKey is IQYYEUAXOYIPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-2-28-24-16-19(15-20(17-29)18-30)13-14-23(24)27-25(28)26(31,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,16,20,29-31H,2,15,17-18H2,1H3.
What are the key properties of 2-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]propane-1,3-diol?
2-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]propane-1,3-diol has a molecular weight of 416.52 g/mol, XLogP of 3.48, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]methyl]propane-1,3-diol is sourced from PubChem (CID 118519289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).