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

C14H6ClF7N4O2 — CID 54451145

IUPAC3-[7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)nc2c(-n3c(=O)cc(C(F)(F)F)[nH]c3=O)c(F)cc(Cl)c21
InChIInChI=1S/C14H6ClF7N4O2/c1-25-9-4(15)2-5(16)10(8(9)24-11(25)14(20,21)22)26-7(27)3-6(13(17,18)19)23-12(26)28/h2-3H,1H3,(H,23,28)
InChIKeyWVBBDVFFDAZSAZ-UHFFFAOYSA-N
MW430.67 g/mol
LogP3.24
Rot. Bonds1

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

3-[7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (PubChem CID 54451145) has the molecular formula C14H6ClF7N4O2 and a molecular weight of 430.67 g/mol. Its IUPAC name is 3-[7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
PubChem CID54451145
Molecular FormulaC14H6ClF7N4O2
Molecular Weight430.67 g/mol
Exact Mass430.01
IUPAC Name3-[7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESCn1c(C(F)(F)F)nc2c(-n3c(=O)cc(C(F)(F)F)[nH]c3=O)c(F)cc(Cl)c21
InChIInChI=1S/C14H6ClF7N4O2/c1-25-9-4(15)2-5(16)10(8(9)24-11(25)14(20,21)22)26-7(27)3-6(13(17,18)19)23-12(26)28/h2-3H,1H3,(H,23,28)
InChIKeyWVBBDVFFDAZSAZ-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

Analyze 3-[7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione 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 3-[7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-[7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (CID 54451145) is 3-[7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-[7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-[7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is Cn1c(C(F)(F)F)nc2c(-n3c(=O)cc(C(F)(F)F)[nH]c3=O)c(F)cc(Cl)c21.
What is the InChIKey of 3-[7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is WVBBDVFFDAZSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6ClF7N4O2/c1-25-9-4(15)2-5(16)10(8(9)24-11(25)14(20,21)22)26-7(27)3-6(13(17,18)19)23-12(26)28/h2-3H,1H3,(H,23,28).
What are the key properties of 3-[7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
3-[7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]-6-(trifluoromethyl)-1H-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-1-methyl-2-(trifluoromethyl)benzimidazol-4-yl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 54451145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).