2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide

C26H24F3N3O3 — CID 118515895

IUPAC2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide
SMILESC[C@@H](O)CNC(=O)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(CC(F)(F)F)c2c1
InChIInChI=1S/C26H24F3N3O3/c1-17(33)15-30-23(34)18-12-13-21-22(14-18)32(16-25(27,28)29)24(31-21)26(35,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-14,17,33,35H,15-16H2,1H3,(H,30,34)/t17-/m1/s1
InChIKeyHGXMMYZMQDREHA-QGZVFWFLSA-N
MW483.49 g/mol
LogP3.99
Rot. Bonds7

About 2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide

2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide (PubChem CID 118515895) has the molecular formula C26H24F3N3O3 and a molecular weight of 483.49 g/mol. Its IUPAC name is 2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide
PubChem CID118515895
Molecular FormulaC26H24F3N3O3
Molecular Weight483.49 g/mol
Exact Mass483.18
IUPAC Name2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide
SMILESC[C@@H](O)CNC(=O)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(CC(F)(F)F)c2c1
InChIInChI=1S/C26H24F3N3O3/c1-17(33)15-30-23(34)18-12-13-21-22(14-18)32(16-25(27,28)29)24(31-21)26(35,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-14,17,33,35H,15-16H2,1H3,(H,30,34)/t17-/m1/s1
InChIKeyHGXMMYZMQDREHA-QGZVFWFLSA-N
XLogP3.99
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.49
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide 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 2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide?
The IUPAC name of 2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide (CID 118515895) is 2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide is C[C@@H](O)CNC(=O)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(CC(F)(F)F)c2c1.
What is the InChIKey of 2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide?
The InChIKey is HGXMMYZMQDREHA-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H24F3N3O3/c1-17(33)15-30-23(34)18-12-13-21-22(14-18)32(16-25(27,28)29)24(31-21)26(35,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-14,17,33,35H,15-16H2,1H3,(H,30,34)/t17-/m1/s1.
What are the key properties of 2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide?
2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide has a molecular weight of 483.49 g/mol, XLogP of 3.99, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 118515895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).