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

C24H21F3N2O2 — CID 118515846

IUPAC1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2,2-trifluoroethanol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(O)C(F)(F)F)cc21
InChIInChI=1S/C24H21F3N2O2/c1-2-29-20-15-16(21(30)24(25,26)27)13-14-19(20)28-22(29)23(31,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,21,30-31H,2H2,1H3
InChIKeyZLFDRAUOHGQRHL-UHFFFAOYSA-N
MW426.44 g/mol
LogP4.94
Rot. Bonds5

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

1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2,2-trifluoroethanol (PubChem CID 118515846) has the molecular formula C24H21F3N2O2 and a molecular weight of 426.44 g/mol. Its IUPAC name is 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2,2-trifluoroethanol
PubChem CID118515846
Molecular FormulaC24H21F3N2O2
Molecular Weight426.44 g/mol
Exact Mass426.16
IUPAC Name1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2,2-trifluoroethanol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(O)C(F)(F)F)cc21
InChIInChI=1S/C24H21F3N2O2/c1-2-29-20-15-16(21(30)24(25,26)27)13-14-19(20)28-22(29)23(31,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,21,30-31H,2H2,1H3
InChIKeyZLFDRAUOHGQRHL-UHFFFAOYSA-N
XLogP4.94
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2,2-trifluoroethanol?
The IUPAC name of 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2,2-trifluoroethanol (CID 118515846) is 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2,2-trifluoroethanol?
The canonical SMILES for 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2,2-trifluoroethanol is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(O)C(F)(F)F)cc21.
What is the InChIKey of 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2,2-trifluoroethanol?
The InChIKey is ZLFDRAUOHGQRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O2/c1-2-29-20-15-16(21(30)24(25,26)27)13-14-19(20)28-22(29)23(31,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-15,21,30-31H,2H2,1H3.
What are the key properties of 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2,2-trifluoroethanol?
1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2,2-trifluoroethanol has a molecular weight of 426.44 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 118515846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).