1-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-2-methylpropan-2-ol;5-methylpyrazine-2-carboxamide

C20H24F3N5O2 — CID 171534690

IUPAC1-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-2-methylpropan-2-ol;5-methylpyrazine-2-carboxamide
SMILESCCn1c(CC(C)(C)O)nc2cc(C(F)(F)F)ccc21.Cc1cnc(C(N)=O)cn1
InChIInChI=1S/C14H17F3N2O.C6H7N3O/c1-4-19-11-6-5-9(14(15,16)17)7-10(11)18-12(19)8-13(2,3)20;1-4-2-9-5(3-8-4)6(7)10/h5-7,20H,4,8H2,1-3H3;2-3H,1H3,(H2,7,10)
InChIKeyDCMKKIBTRCXWPS-UHFFFAOYSA-N
MW423.44 g/mol
LogP3.27
Rot. Bonds4

About 1-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-2-methylpropan-2-ol;5-methylpyrazine-2-carboxamide

1-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-2-methylpropan-2-ol;5-methylpyrazine-2-carboxamide (PubChem CID 171534690) has the molecular formula C20H24F3N5O2 and a molecular weight of 423.44 g/mol. Its IUPAC name is 1-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-2-methylpropan-2-ol;5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name1-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-2-methylpropan-2-ol;5-methylpyrazine-2-carboxamide
PubChem CID171534690
Molecular FormulaC20H24F3N5O2
Molecular Weight423.44 g/mol
Exact Mass423.19
IUPAC Name1-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-2-methylpropan-2-ol;5-methylpyrazine-2-carboxamide
SMILESCCn1c(CC(C)(C)O)nc2cc(C(F)(F)F)ccc21.Cc1cnc(C(N)=O)cn1
InChIInChI=1S/C14H17F3N2O.C6H7N3O/c1-4-19-11-6-5-9(14(15,16)17)7-10(11)18-12(19)8-13(2,3)20;1-4-2-9-5(3-8-4)6(7)10/h5-7,20H,4,8H2,1-3H3;2-3H,1H3,(H2,7,10)
InChIKeyDCMKKIBTRCXWPS-UHFFFAOYSA-N
XLogP3.27
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-2-methylpropan-2-ol;5-methylpyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(4-tert-butylphenoxy)methyl]-1-ethylbenzimidazole-5-carboxylate
CID 4291889
4,5-dimethyl-6-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]pyridine-2-carboxamide
CID 170367077
1-ethyl-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole
CID 46310424
2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310801
N-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-4-fluorobenzamide
CID 90719945
2-(1-ethyl-2-methylbenzimidazol-5-yl)-2-methylpropanoic acid
CID 82498102
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 17439153
2-methyl-7-(trifluoromethyl)quinoline-4-carboxamide
CID 82574068
2-(methoxymethyl)-1-(3-methoxypropyl)-5-(trifluoromethyl)benzimidazole
CID 46308515
2-[2-(2-chloroethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propanamide
CID 115502224
(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl (3R)-4,4,4-trifluoro-3-hydroxy-3-methylbutanoate
CID 25371858
tert-butyl N-[2-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]carbamate
CID 91107429

Frequently Asked Questions

What is the IUPAC name of 1-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-2-methylpropan-2-ol;5-methylpyrazine-2-carboxamide?
The IUPAC name of 1-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-2-methylpropan-2-ol;5-methylpyrazine-2-carboxamide (CID 171534690) is 1-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-2-methylpropan-2-ol;5-methylpyrazine-2-carboxamide.
What is the SMILES notation for 1-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-2-methylpropan-2-ol;5-methylpyrazine-2-carboxamide?
The canonical SMILES for 1-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-2-methylpropan-2-ol;5-methylpyrazine-2-carboxamide is CCn1c(CC(C)(C)O)nc2cc(C(F)(F)F)ccc21.Cc1cnc(C(N)=O)cn1.
What is the InChIKey of 1-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-2-methylpropan-2-ol;5-methylpyrazine-2-carboxamide?
The InChIKey is DCMKKIBTRCXWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O.C6H7N3O/c1-4-19-11-6-5-9(14(15,16)17)7-10(11)18-12(19)8-13(2,3)20;1-4-2-9-5(3-8-4)6(7)10/h5-7,20H,4,8H2,1-3H3;2-3H,1H3,(H2,7,10).
What are the key properties of 1-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-2-methylpropan-2-ol;5-methylpyrazine-2-carboxamide?
1-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-2-methylpropan-2-ol;5-methylpyrazine-2-carboxamide has a molecular weight of 423.44 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-2-methylpropan-2-ol;5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 171534690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).