[5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol

C20H16F3N5O — CID 118101422

IUPAC[5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol
SMILESCc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)c(CO)c2)n1
InChIInChI=1S/C20H16F3N5O/c1-12-25-16-4-2-3-5-17(16)28(12)19-10-24-9-18(27-19)26-14-6-7-15(20(21,22)23)13(8-14)11-29/h2-10,29H,11H2,1H3,(H,26,27)
InChIKeyHQMWYMAFLVRKFE-UHFFFAOYSA-N
MW399.38 g/mol
LogP4.38
Rot. Bonds4

About [5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol

[5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol (PubChem CID 118101422) has the molecular formula C20H16F3N5O and a molecular weight of 399.38 g/mol. Its IUPAC name is [5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol
PubChem CID118101422
Molecular FormulaC20H16F3N5O
Molecular Weight399.38 g/mol
Exact Mass399.13
IUPAC Name[5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol
SMILESCc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)c(CO)c2)n1
InChIInChI=1S/C20H16F3N5O/c1-12-25-16-4-2-3-5-17(16)28(12)19-10-24-9-18(27-19)26-14-6-7-15(20(21,22)23)13(8-14)11-29/h2-10,29H,11H2,1H3,(H,26,27)
InChIKeyHQMWYMAFLVRKFE-UHFFFAOYSA-N
XLogP4.38
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol 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 [5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol (CID 118101422) is [5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol is Cc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)c(CO)c2)n1.
What is the InChIKey of [5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol?
The InChIKey is HQMWYMAFLVRKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O/c1-12-25-16-4-2-3-5-17(16)28(12)19-10-24-9-18(27-19)26-14-6-7-15(20(21,22)23)13(8-14)11-29/h2-10,29H,11H2,1H3,(H,26,27).
What are the key properties of [5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol?
[5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol has a molecular weight of 399.38 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]-2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 118101422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).