3-[7-chloro-5-fluoro-2-(trifluoromethyl)-3H-benzimidazol-4-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

C14H6ClF7N4O2 — CID 11327894

IUPAC3-[7-chloro-5-fluoro-2-(trifluoromethyl)-3H-benzimidazol-4-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(-c2c(F)cc(Cl)c3nc(C(F)(F)F)[nH]c23)c1=O
InChIInChI=1S/C14H6ClF7N4O2/c1-25-6(13(17,18)19)3-7(27)26(12(25)28)10-5(16)2-4(15)8-9(10)24-11(23-8)14(20,21)22/h2-3H,1H3,(H,23,24)
InChIKeyVFUORVMBGSIGRW-UHFFFAOYSA-N
MW430.67 g/mol
LogP3.24
Rot. Bonds1

About 3-[7-chloro-5-fluoro-2-(trifluoromethyl)-3H-benzimidazol-4-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

3-[7-chloro-5-fluoro-2-(trifluoromethyl)-3H-benzimidazol-4-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 11327894) has the molecular formula C14H6ClF7N4O2 and a molecular weight of 430.67 g/mol. Its IUPAC name is 3-[7-chloro-5-fluoro-2-(trifluoromethyl)-3H-benzimidazol-4-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[7-chloro-5-fluoro-2-(trifluoromethyl)-3H-benzimidazol-4-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID11327894
Molecular FormulaC14H6ClF7N4O2
Molecular Weight430.67 g/mol
Exact Mass430.01
IUPAC Name3-[7-chloro-5-fluoro-2-(trifluoromethyl)-3H-benzimidazol-4-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)cc(=O)n(-c2c(F)cc(Cl)c3nc(C(F)(F)F)[nH]c23)c1=O
InChIInChI=1S/C14H6ClF7N4O2/c1-25-6(13(17,18)19)3-7(27)26(12(25)28)10-5(16)2-4(15)8-9(10)24-11(23-8)14(20,21)22/h2-3H,1H3,(H,23,24)
InChIKeyVFUORVMBGSIGRW-UHFFFAOYSA-N
XLogP3.24
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.67
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-chloro-2-methyl-1H-benzimidazol-4-yl)acetamide
CID 368225
(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 10017500
3-(7-chloro-5-fluoro-1-methylbenzotriazol-4-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 11046704
ethyl N-[7-chloro-5-fluoro-2-(trifluoromethyl)-3H-benzimidazol-4-yl]carbamate
CID 11404607
4-chloro-7,8-dihydroxy-2-trifluoromethyl-1H-imidazo(4,5-f)quinoxaline
CID 15087433
3-(7-chloro-2-ethyl-5-fluoro-3H-benzimidazol-4-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 18315066
3-(2-tert-butyl-7-chloro-5-fluoro-3H-benzimidazol-4-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 18315087
1-Methyl-3-(2-trifluoromethylbenzimidazol-5-yl)-6-trifluoromethyluracil
CID 22921542
7-Chloro-5-fluoro-4-isocyanato-1-methyl-2-(trifluoromethyl)benzimidazole
CID 53898081
7-Chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-amine
CID 54065745
3-[7-Chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 54341924
3-[7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 54451145

Frequently Asked Questions

What is the IUPAC name of 3-[7-chloro-5-fluoro-2-(trifluoromethyl)-3H-benzimidazol-4-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-[7-chloro-5-fluoro-2-(trifluoromethyl)-3H-benzimidazol-4-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 11327894) is 3-[7-chloro-5-fluoro-2-(trifluoromethyl)-3H-benzimidazol-4-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-[7-chloro-5-fluoro-2-(trifluoromethyl)-3H-benzimidazol-4-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-[7-chloro-5-fluoro-2-(trifluoromethyl)-3H-benzimidazol-4-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is Cn1c(C(F)(F)F)cc(=O)n(-c2c(F)cc(Cl)c3nc(C(F)(F)F)[nH]c23)c1=O.
What is the InChIKey of 3-[7-chloro-5-fluoro-2-(trifluoromethyl)-3H-benzimidazol-4-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is VFUORVMBGSIGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6ClF7N4O2/c1-25-6(13(17,18)19)3-7(27)26(12(25)28)10-5(16)2-4(15)8-9(10)24-11(23-8)14(20,21)22/h2-3H,1H3,(H,23,24).
What are the key properties of 3-[7-chloro-5-fluoro-2-(trifluoromethyl)-3H-benzimidazol-4-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-[7-chloro-5-fluoro-2-(trifluoromethyl)-3H-benzimidazol-4-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 430.67 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-chloro-5-fluoro-2-(trifluoromethyl)-3H-benzimidazol-4-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 11327894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).