2-chloro-5-[5-chloro-1-methyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidine

C9H5Cl2F3N4 — CID 87964561

IUPAC2-chloro-5-[5-chloro-1-methyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidine
SMILESCn1c(C(F)(F)F)nc(-c2cnc(Cl)nc2)c1Cl
InChIInChI=1S/C9H5Cl2F3N4/c1-18-6(10)5(17-7(18)9(12,13)14)4-2-15-8(11)16-3-4/h2-3H,1H3
InChIKeyNCMFJAYWTXSUDO-UHFFFAOYSA-N
MW297.07 g/mol
LogP3.20
Rot. Bonds1

About 2-chloro-5-[5-chloro-1-methyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidine

2-chloro-5-[5-chloro-1-methyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidine (PubChem CID 87964561) has the molecular formula C9H5Cl2F3N4 and a molecular weight of 297.07 g/mol. Its IUPAC name is 2-chloro-5-[5-chloro-1-methyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidine.

Molecular Properties

Compound Name2-chloro-5-[5-chloro-1-methyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidine
PubChem CID87964561
Molecular FormulaC9H5Cl2F3N4
Molecular Weight297.07 g/mol
Exact Mass295.98
IUPAC Name2-chloro-5-[5-chloro-1-methyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidine
SMILESCn1c(C(F)(F)F)nc(-c2cnc(Cl)nc2)c1Cl
InChIInChI=1S/C9H5Cl2F3N4/c1-18-6(10)5(17-7(18)9(12,13)14)4-2-15-8(11)16-3-4/h2-3H,1H3
InChIKeyNCMFJAYWTXSUDO-UHFFFAOYSA-N
XLogP3.20
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.07
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[5-chloro-1-methyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidine?
The IUPAC name of 2-chloro-5-[5-chloro-1-methyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidine (CID 87964561) is 2-chloro-5-[5-chloro-1-methyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidine.
What is the SMILES notation for 2-chloro-5-[5-chloro-1-methyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidine?
The canonical SMILES for 2-chloro-5-[5-chloro-1-methyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidine is Cn1c(C(F)(F)F)nc(-c2cnc(Cl)nc2)c1Cl.
What is the InChIKey of 2-chloro-5-[5-chloro-1-methyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidine?
The InChIKey is NCMFJAYWTXSUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2F3N4/c1-18-6(10)5(17-7(18)9(12,13)14)4-2-15-8(11)16-3-4/h2-3H,1H3.
What are the key properties of 2-chloro-5-[5-chloro-1-methyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidine?
2-chloro-5-[5-chloro-1-methyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidine has a molecular weight of 297.07 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[5-chloro-1-methyl-2-(trifluoromethyl)imidazol-4-yl]pyrimidine is sourced from PubChem (CID 87964561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).