1-methyl-6-(trifluoromethyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]pyrimidine-2,4-dione

C14H8F6N4O2 — CID 22921542

IUPAC1-methyl-6-(trifluoromethyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(-c2ccc3nc(C(F)(F)F)[nH]c3c2)c1=O
InChIInChI=1S/C14H8F6N4O2/c1-23-9(13(15,16)17)5-10(25)24(12(23)26)6-2-3-7-8(4-6)22-11(21-7)14(18,19)20/h2-5H,1H3,(H,21,22)
InChIKeyANEBVLVRUBOGNV-UHFFFAOYSA-N
MW378.23 g/mol
LogP2.45
Rot. Bonds1

About 1-methyl-6-(trifluoromethyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]pyrimidine-2,4-dione

1-methyl-6-(trifluoromethyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]pyrimidine-2,4-dione (PubChem CID 22921542) has the molecular formula C14H8F6N4O2 and a molecular weight of 378.23 g/mol. Its IUPAC name is 1-methyl-6-(trifluoromethyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-6-(trifluoromethyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]pyrimidine-2,4-dione
PubChem CID22921542
Molecular FormulaC14H8F6N4O2
Molecular Weight378.23 g/mol
Exact Mass378.06
IUPAC Name1-methyl-6-(trifluoromethyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(-c2ccc3nc(C(F)(F)F)[nH]c3c2)c1=O
InChIInChI=1S/C14H8F6N4O2/c1-23-9(13(15,16)17)5-10(25)24(12(23)26)6-2-3-7-8(4-6)22-11(21-7)14(18,19)20/h2-5H,1H3,(H,21,22)
InChIKeyANEBVLVRUBOGNV-UHFFFAOYSA-N
XLogP2.45
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-2-(trifluoromethyl)benzimidazole
CID 19345
N-(2-methyl-1-phenylbenzimidazol-5-yl)acetamide
CID 739312
4-Pyrimidinol, 2-1H-benzimidazol-2-ylamino)-6-methyl-
CID 135423682
N-(1H-1,3-benzodiazol-2-ylmethyl)butanamide
CID 751089
N-(1-methylbenzimidazol-5-yl)acetamide
CID 965364
N-(2-(4-Amino-2-oxo-1,2-dihydroquinolin-3-yl)-1H-benzo[d]imidazol-6-yl)-2-(dimethylamino)-N-methylacetamide
CID 135926104
3-(1H-benzimidazol-2-yl)-4-[[4-(2,2-difluoroethylamino)cyclohexyl]amino]-1H-pyridin-2-one
CID 136048702
3-(1H-benzimidazol-2-yl)-4-[[4-(2-fluoroethylamino)cyclohexyl]amino]-1H-pyridin-2-one
CID 136048703
3-(1,2-Dimethylbenzimidazol-5-yl)-1-phenyl-1-prop-2-enylurea
CID 893311
1-(1,2-Dimethylbenzimidazol-5-yl)-3-(3-fluorophenyl)urea
CID 894122
N-[1-methyl-2-(piperidin-1-ylmethyl)-1H-benzimidazol-5-yl]propanamide
CID 1509016
N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]acetamide
CID 2971924

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(trifluoromethyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-6-(trifluoromethyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]pyrimidine-2,4-dione (CID 22921542) is 1-methyl-6-(trifluoromethyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-6-(trifluoromethyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-6-(trifluoromethyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]pyrimidine-2,4-dione is Cn1c(C(F)(F)F)cc(=O)n(-c2ccc3nc(C(F)(F)F)[nH]c3c2)c1=O.
What is the InChIKey of 1-methyl-6-(trifluoromethyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]pyrimidine-2,4-dione?
The InChIKey is ANEBVLVRUBOGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6N4O2/c1-23-9(13(15,16)17)5-10(25)24(12(23)26)6-2-3-7-8(4-6)22-11(21-7)14(18,19)20/h2-5H,1H3,(H,21,22).
What are the key properties of 1-methyl-6-(trifluoromethyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]pyrimidine-2,4-dione?
1-methyl-6-(trifluoromethyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]pyrimidine-2,4-dione has a molecular weight of 378.23 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(trifluoromethyl)-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 22921542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).