2-[2-amino-6-(trifluoromethyl)benzimidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol

C17H12ClF6N3O — CID 90644762

IUPAC2-[2-amino-6-(trifluoromethyl)benzimidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol
SMILESNc1nc2ccc(C(F)(F)F)cc2n1CC(O)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C17H12ClF6N3O/c18-11-5-8(16(19,20)21)1-3-10(11)14(28)7-27-13-6-9(17(22,23)24)2-4-12(13)26-15(27)25/h1-6,14,28H,7H2,(H2,25,26)
InChIKeyKAHGRTFKEJELQL-UHFFFAOYSA-N
MW423.74 g/mol
LogP5.04
Rot. Bonds3

About 2-[2-amino-6-(trifluoromethyl)benzimidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol

2-[2-amino-6-(trifluoromethyl)benzimidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol (PubChem CID 90644762) has the molecular formula C17H12ClF6N3O and a molecular weight of 423.74 g/mol. Its IUPAC name is 2-[2-amino-6-(trifluoromethyl)benzimidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-amino-6-(trifluoromethyl)benzimidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol
PubChem CID90644762
Molecular FormulaC17H12ClF6N3O
Molecular Weight423.74 g/mol
Exact Mass423.06
IUPAC Name2-[2-amino-6-(trifluoromethyl)benzimidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol
SMILESNc1nc2ccc(C(F)(F)F)cc2n1CC(O)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C17H12ClF6N3O/c18-11-5-8(16(19,20)21)1-3-10(11)14(28)7-27-13-6-9(17(22,23)24)2-4-12(13)26-15(27)25/h1-6,14,28H,7H2,(H2,25,26)
InChIKeyKAHGRTFKEJELQL-UHFFFAOYSA-N
XLogP5.04
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.74
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Methylphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 2881527
(1R)-2-(2-amino-5-methylbenzimidazol-1-yl)-1-phenylethanol
CID 44532771
2-Amino-3-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]benzimidazole-5-carbonitrile
CID 90644763
2-(2-Amino-6-chlorobenzimidazol-1-yl)-1-(2,3-dichlorophenyl)ethanol
CID 90644765
2-[2-Amino-5-(2,2,2-trifluoroethylamino)imidazo[4,5-b]pyridin-3-yl]-1-(2,4-dichlorophenyl)ethanol
CID 90644771
2-[2-Amino-5-(4-methylpiperazin-1-yl)imidazo[4,5-b]pyridin-3-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol
CID 90644773
2-(2-Aminobenzimidazol-1-yl)-1-(2,4-dichlorophenyl)ethanol
CID 90644774
2-[2-Amino-4-(4-fluorophenyl)imidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol
CID 90644776
3-[3-Ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoropropan-1-ol
CID 126726491
(1-Ethylbenzimidazol-2-yl)-(4-methylphenyl)methanol
CID 3131363
[1-[(2-Chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]-phenylmethanol
CID 16012746
(1-(3,4-dichlorobenzyl)-1H-benzo[d]imidazol-2-yl)(phenyl)methanol
CID 2959911

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-6-(trifluoromethyl)benzimidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[2-amino-6-(trifluoromethyl)benzimidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol (CID 90644762) is 2-[2-amino-6-(trifluoromethyl)benzimidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[2-amino-6-(trifluoromethyl)benzimidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[2-amino-6-(trifluoromethyl)benzimidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol is Nc1nc2ccc(C(F)(F)F)cc2n1CC(O)c1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[2-amino-6-(trifluoromethyl)benzimidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is KAHGRTFKEJELQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF6N3O/c18-11-5-8(16(19,20)21)1-3-10(11)14(28)7-27-13-6-9(17(22,23)24)2-4-12(13)26-15(27)25/h1-6,14,28H,7H2,(H2,25,26).
What are the key properties of 2-[2-amino-6-(trifluoromethyl)benzimidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol?
2-[2-amino-6-(trifluoromethyl)benzimidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 423.74 g/mol, XLogP of 5.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-6-(trifluoromethyl)benzimidazol-1-yl]-1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 90644762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).