3-(7-chloro-5-fluoro-1,2-dimethylbenzimidazol-4-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

C15H11ClF4N4O2 — CID 57038492

IUPAC3-(7-chloro-5-fluoro-1,2-dimethylbenzimidazol-4-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCc1nc2c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)c(F)cc(Cl)c2n1C
InChIInChI=1S/C15H11ClF4N4O2/c1-6-21-11-12(22(6)2)7(16)4-8(17)13(11)24-10(25)5-9(15(18,19)20)23(3)14(24)26/h4-5H,1-3H3
InChIKeyQJPDFNWDIINDJV-UHFFFAOYSA-N
MW390.72 g/mol
LogP2.54
Rot. Bonds1

About 3-(7-chloro-5-fluoro-1,2-dimethylbenzimidazol-4-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

3-(7-chloro-5-fluoro-1,2-dimethylbenzimidazol-4-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 57038492) has the molecular formula C15H11ClF4N4O2 and a molecular weight of 390.72 g/mol. Its IUPAC name is 3-(7-chloro-5-fluoro-1,2-dimethylbenzimidazol-4-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(7-chloro-5-fluoro-1,2-dimethylbenzimidazol-4-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID57038492
Molecular FormulaC15H11ClF4N4O2
Molecular Weight390.72 g/mol
Exact Mass390.05
IUPAC Name3-(7-chloro-5-fluoro-1,2-dimethylbenzimidazol-4-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCc1nc2c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)c(F)cc(Cl)c2n1C
InChIInChI=1S/C15H11ClF4N4O2/c1-6-21-11-12(22(6)2)7(16)4-8(17)13(11)24-10(25)5-9(15(18,19)20)23(3)14(24)26/h4-5H,1-3H3
InChIKeyQJPDFNWDIINDJV-UHFFFAOYSA-N
XLogP2.54
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.72
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-5-fluoro-1,2-dimethylbenzimidazol-4-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-(7-chloro-5-fluoro-1,2-dimethylbenzimidazol-4-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 57038492) is 3-(7-chloro-5-fluoro-1,2-dimethylbenzimidazol-4-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-(7-chloro-5-fluoro-1,2-dimethylbenzimidazol-4-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-(7-chloro-5-fluoro-1,2-dimethylbenzimidazol-4-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is Cc1nc2c(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)c(F)cc(Cl)c2n1C.
What is the InChIKey of 3-(7-chloro-5-fluoro-1,2-dimethylbenzimidazol-4-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is QJPDFNWDIINDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF4N4O2/c1-6-21-11-12(22(6)2)7(16)4-8(17)13(11)24-10(25)5-9(15(18,19)20)23(3)14(24)26/h4-5H,1-3H3.
What are the key properties of 3-(7-chloro-5-fluoro-1,2-dimethylbenzimidazol-4-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-(7-chloro-5-fluoro-1,2-dimethylbenzimidazol-4-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 390.72 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-5-fluoro-1,2-dimethylbenzimidazol-4-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 57038492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).