4-methyl-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-1H-pyrimidin-6-one

C13H10F3N5O — CID 135590508

IUPAC4-methyl-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Nc2nc3ccc(C(F)(F)F)cc3[nH]2)n1
InChIInChI=1S/C13H10F3N5O/c1-6-4-10(22)20-11(17-6)21-12-18-8-3-2-7(13(14,15)16)5-9(8)19-12/h2-5H,1H3,(H3,17,18,19,20,21,22)
InChIKeyWIXAAWABBIJRGT-UHFFFAOYSA-N
MW309.25 g/mol
LogP2.72
Rot. Bonds2

About 4-methyl-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-1H-pyrimidin-6-one

4-methyl-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-1H-pyrimidin-6-one (PubChem CID 135590508) has the molecular formula C13H10F3N5O and a molecular weight of 309.25 g/mol. Its IUPAC name is 4-methyl-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-1H-pyrimidin-6-one
PubChem CID135590508
Molecular FormulaC13H10F3N5O
Molecular Weight309.25 g/mol
Exact Mass309.08
IUPAC Name4-methyl-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(Nc2nc3ccc(C(F)(F)F)cc3[nH]2)n1
InChIInChI=1S/C13H10F3N5O/c1-6-4-10(22)20-11(17-6)21-12-18-8-3-2-7(13(14,15)16)5-9(8)19-12/h2-5H,1H3,(H3,17,18,19,20,21,22)
InChIKeyWIXAAWABBIJRGT-UHFFFAOYSA-N
XLogP2.72
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamic acid
CID 122583322
3-hydroxy-3-methyl-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]butanamide
CID 139518431
2-[4-chloro-3-(trifluoromethyl)anilino]-4-methyl-1H-pyrimidin-6-one
CID 135764106
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone
CID 67378249
2-fluoro-6-(trifluoromethyl)-1H-benzimidazole
CID 131028936
3-methyl-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-thiazole-4-carboxamide
CID 122136688
N-(4-fluoro-1H-indol-6-yl)-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 164539998
2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455089
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine
CID 69314916
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride
CID 161165676
methanol;6-(trifluoromethyl)-1H-benzimidazole-2-sulfonic acid
CID 144728382
2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-2-ol
CID 81455714

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-1H-pyrimidin-6-one (CID 135590508) is 4-methyl-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(Nc2nc3ccc(C(F)(F)F)cc3[nH]2)n1.
What is the InChIKey of 4-methyl-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-1H-pyrimidin-6-one?
The InChIKey is WIXAAWABBIJRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5O/c1-6-4-10(22)20-11(17-6)21-12-18-8-3-2-7(13(14,15)16)5-9(8)19-12/h2-5H,1H3,(H3,17,18,19,20,21,22).
What are the key properties of 4-methyl-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-1H-pyrimidin-6-one?
4-methyl-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-1H-pyrimidin-6-one has a molecular weight of 309.25 g/mol, XLogP of 2.72, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 135590508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).