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

C24H24N2O3 — CID 118515940

IUPAC1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]ethane-1,2-diol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(O)CO)cc21
InChIInChI=1S/C24H24N2O3/c1-2-26-21-15-17(22(28)16-27)13-14-20(21)25-23(26)24(29,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,22,27-29H,2,16H2,1H3
InChIKeyVAKHLEFHCGPCBJ-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.37
Rot. Bonds6

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

1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]ethane-1,2-diol (PubChem CID 118515940) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]ethane-1,2-diol
PubChem CID118515940
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]ethane-1,2-diol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(O)CO)cc21
InChIInChI=1S/C24H24N2O3/c1-2-26-21-15-17(22(28)16-27)13-14-20(21)25-23(26)24(29,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,22,27-29H,2,16H2,1H3
InChIKeyVAKHLEFHCGPCBJ-UHFFFAOYSA-N
XLogP3.37
TPSA78.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]ethane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]ethane-1,2-diol?
The IUPAC name of 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]ethane-1,2-diol (CID 118515940) is 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]ethane-1,2-diol?
The canonical SMILES for 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]ethane-1,2-diol is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(O)CO)cc21.
What is the InChIKey of 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]ethane-1,2-diol?
The InChIKey is VAKHLEFHCGPCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-2-26-21-15-17(22(28)16-27)13-14-20(21)25-23(26)24(29,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,22,27-29H,2,16H2,1H3.
What are the key properties of 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]ethane-1,2-diol?
1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]ethane-1,2-diol has a molecular weight of 388.47 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]ethane-1,2-diol is sourced from PubChem (CID 118515940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).