2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol

C14H12F3N3O — CID 17390824

IUPAC2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol
SMILESCn1ccnc1C(O)(c1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C14H12F3N3O/c1-20-7-6-18-12(20)13(21,14(15,16)17)10-8-19-11-5-3-2-4-9(10)11/h2-8,19,21H,1H3
InChIKeyVYHWZCALNQOLKH-UHFFFAOYSA-N
MW295.26 g/mol
LogP2.70
Rot. Bonds2

About 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol

2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol (PubChem CID 17390824) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol
PubChem CID17390824
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC Name2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol
SMILESCn1ccnc1C(O)(c1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C14H12F3N3O/c1-20-7-6-18-12(20)13(21,14(15,16)17)10-8-19-11-5-3-2-4-9(10)11/h2-8,19,21H,1H3
InChIKeyVYHWZCALNQOLKH-UHFFFAOYSA-N
XLogP2.70
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-fluorophenyl)-3-hydroxy-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
CID 14660410
4-fluoro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
CID 142619909
2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
CID 142619931
(3-Methylimidazol-4-yl)-(1-naphthalen-1-ylindol-6-yl)-phenylmethanol
CID 44402761
4-[3-(1H-imidazol-2-yl)-1H-indol-2-yl]phenol
CID 136068388
3-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
CID 142619912
(+/-)-2-(1-(5-Ethyl-7-methyl-1H-indol-4-yl)-2,2,2-trifluoro-1-hydroxyethyl)-3H-imidazo[4,5-b]pyridine-6-carbonitrile
CID 86282340
US10550089, Example 34
CID 132116956
US10550089, Example 60
CID 132132224
US10550089, Example 37
CID 132132265
1,1,1-Trifluoro-3-[[4-(4,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-3-yl)cyclohexyl]amino]-2-phenylpropan-2-ol
CID 136491595
1,1,1-Trifluoro-3-[[4-(4,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-3-yl)cyclohexyl]methylamino]-2-phenylpropan-2-ol
CID 136980275

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol (CID 17390824) is 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol is Cn1ccnc1C(O)(c1c[nH]c2ccccc12)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol?
The InChIKey is VYHWZCALNQOLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c1-20-7-6-18-12(20)13(21,14(15,16)17)10-8-19-11-5-3-2-4-9(10)11/h2-8,19,21H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol?
2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol has a molecular weight of 295.26 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol is sourced from PubChem (CID 17390824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).