(2R)-1-[[1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2,2-trifluoroethyl]amino]propan-2-ol

C27H28F3N3O2 — CID 118515873

IUPAC(2R)-1-[[1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2,2-trifluoroethyl]amino]propan-2-ol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(NC[C@@H](C)O)C(F)(F)F)cc21
InChIInChI=1S/C27H28F3N3O2/c1-3-33-23-16-19(24(27(28,29)30)31-17-18(2)34)14-15-22(23)32-25(33)26(35,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16,18,24,31,34-35H,3,17H2,1-2H3/t18-,24?/m1/s1
InChIKeyRIWJQEKJCQCWFW-QFADGXAASA-N
MW483.53 g/mol
LogP4.91
Rot. Bonds8

About (2R)-1-[[1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2,2-trifluoroethyl]amino]propan-2-ol

(2R)-1-[[1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2,2-trifluoroethyl]amino]propan-2-ol (PubChem CID 118515873) has the molecular formula C27H28F3N3O2 and a molecular weight of 483.53 g/mol. Its IUPAC name is (2R)-1-[[1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2,2-trifluoroethyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2,2-trifluoroethyl]amino]propan-2-ol
PubChem CID118515873
Molecular FormulaC27H28F3N3O2
Molecular Weight483.53 g/mol
Exact Mass483.21
IUPAC Name(2R)-1-[[1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2,2-trifluoroethyl]amino]propan-2-ol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(NC[C@@H](C)O)C(F)(F)F)cc21
InChIInChI=1S/C27H28F3N3O2/c1-3-33-23-16-19(24(27(28,29)30)31-17-18(2)34)14-15-22(23)32-25(33)26(35,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16,18,24,31,34-35H,3,17H2,1-2H3/t18-,24?/m1/s1
InChIKeyRIWJQEKJCQCWFW-QFADGXAASA-N
XLogP4.91
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[[1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2,2-trifluoroethyl]amino]propan-2-ol with MolForge

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Related Compounds

Mavatrep
CID 17751090
2-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
CID 53344884
1-[4-(Dimethylamino)phenyl]-2-(1-methyl-1H-benzimidazol-2-yl)ethanol
CID 589795
(4-Methylphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 2881527
2-(2-Methylbenzimidazol-1-yl)-1-phenylethanol
CID 5200852
1-(2,6-Difluorobenzyl)-2-(2,6-difluorophenyl)-4-hydroxymethylbenzimidazole
CID 492681
1-Ethyl-3-[[1-(2-hydroxy-2-phenylethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one
CID 11567786
[2-[4-(Aminomethyl)-3-methylbenzimidazol-5-yl]phenyl]methanol
CID 11708771
2-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
CID 24758358
(E)-1-(2-{2-[2-(4-tert-butyl-phenyl)-vinyl]-1H-benzimidazol-5-yl}-phenyl)-ethanol
CID 24758810
[2-[2-[(E)-2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]methanol
CID 24759035
1-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanol
CID 24759039

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2,2-trifluoroethyl]amino]propan-2-ol?
The IUPAC name of (2R)-1-[[1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2,2-trifluoroethyl]amino]propan-2-ol (CID 118515873) is (2R)-1-[[1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2,2-trifluoroethyl]amino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2,2-trifluoroethyl]amino]propan-2-ol?
The canonical SMILES for (2R)-1-[[1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2,2-trifluoroethyl]amino]propan-2-ol is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(NC[C@@H](C)O)C(F)(F)F)cc21.
What is the InChIKey of (2R)-1-[[1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2,2-trifluoroethyl]amino]propan-2-ol?
The InChIKey is RIWJQEKJCQCWFW-QFADGXAASA-N. The full InChI is InChI=1S/C27H28F3N3O2/c1-3-33-23-16-19(24(27(28,29)30)31-17-18(2)34)14-15-22(23)32-25(33)26(35,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16,18,24,31,34-35H,3,17H2,1-2H3/t18-,24?/m1/s1.
What are the key properties of (2R)-1-[[1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2,2-trifluoroethyl]amino]propan-2-ol?
(2R)-1-[[1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2,2-trifluoroethyl]amino]propan-2-ol has a molecular weight of 483.53 g/mol, XLogP of 4.91, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2,2-trifluoroethyl]amino]propan-2-ol is sourced from PubChem (CID 118515873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).