4,6-dichloro-2-[4-(trifluoromethyl)pyrimidin-5-yl]-1H-benzimidazole

C12H5Cl2F3N4 — CID 141191141

IUPAC4,6-dichloro-2-[4-(trifluoromethyl)pyrimidin-5-yl]-1H-benzimidazole
SMILESFC(F)(F)c1ncncc1-c1nc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C12H5Cl2F3N4/c13-5-1-7(14)9-8(2-5)20-11(21-9)6-3-18-4-19-10(6)12(15,16)17/h1-4H,(H,20,21)
InChIKeyDEMSIWLUJOHISN-UHFFFAOYSA-N
MW333.10 g/mol
LogP4.35
Rot. Bonds1

About 4,6-dichloro-2-[4-(trifluoromethyl)pyrimidin-5-yl]-1H-benzimidazole

4,6-dichloro-2-[4-(trifluoromethyl)pyrimidin-5-yl]-1H-benzimidazole (PubChem CID 141191141) has the molecular formula C12H5Cl2F3N4 and a molecular weight of 333.10 g/mol. Its IUPAC name is 4,6-dichloro-2-[4-(trifluoromethyl)pyrimidin-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name4,6-dichloro-2-[4-(trifluoromethyl)pyrimidin-5-yl]-1H-benzimidazole
PubChem CID141191141
Molecular FormulaC12H5Cl2F3N4
Molecular Weight333.10 g/mol
Exact Mass331.98
IUPAC Name4,6-dichloro-2-[4-(trifluoromethyl)pyrimidin-5-yl]-1H-benzimidazole
SMILESFC(F)(F)c1ncncc1-c1nc2c(Cl)cc(Cl)cc2[nH]1
InChIInChI=1S/C12H5Cl2F3N4/c13-5-1-7(14)9-8(2-5)20-11(21-9)6-3-18-4-19-10(6)12(15,16)17/h1-4H,(H,20,21)
InChIKeyDEMSIWLUJOHISN-UHFFFAOYSA-N
XLogP4.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.10
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[4-(trifluoromethyl)pyrimidin-5-yl]-1H-benzimidazole?
The IUPAC name of 4,6-dichloro-2-[4-(trifluoromethyl)pyrimidin-5-yl]-1H-benzimidazole (CID 141191141) is 4,6-dichloro-2-[4-(trifluoromethyl)pyrimidin-5-yl]-1H-benzimidazole.
What is the SMILES notation for 4,6-dichloro-2-[4-(trifluoromethyl)pyrimidin-5-yl]-1H-benzimidazole?
The canonical SMILES for 4,6-dichloro-2-[4-(trifluoromethyl)pyrimidin-5-yl]-1H-benzimidazole is FC(F)(F)c1ncncc1-c1nc2c(Cl)cc(Cl)cc2[nH]1.
What is the InChIKey of 4,6-dichloro-2-[4-(trifluoromethyl)pyrimidin-5-yl]-1H-benzimidazole?
The InChIKey is DEMSIWLUJOHISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl2F3N4/c13-5-1-7(14)9-8(2-5)20-11(21-9)6-3-18-4-19-10(6)12(15,16)17/h1-4H,(H,20,21).
What are the key properties of 4,6-dichloro-2-[4-(trifluoromethyl)pyrimidin-5-yl]-1H-benzimidazole?
4,6-dichloro-2-[4-(trifluoromethyl)pyrimidin-5-yl]-1H-benzimidazole has a molecular weight of 333.10 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[4-(trifluoromethyl)pyrimidin-5-yl]-1H-benzimidazole is sourced from PubChem (CID 141191141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).