1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-4,5,6,7-tetrahydrobenzimidazole

C12H10ClF3N4 — CID 114562975

IUPAC1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-4,5,6,7-tetrahydrobenzimidazole
SMILESFC(F)(F)c1cc(-n2cnc3c2CCCC3)nc(Cl)n1
InChIInChI=1S/C12H10ClF3N4/c13-11-18-9(12(14,15)16)5-10(19-11)20-6-17-7-3-1-2-4-8(7)20/h5-6H,1-4H2
InChIKeyMBLOGQMHRLQCFP-UHFFFAOYSA-N
MW302.69 g/mol
LogP3.21
Rot. Bonds1

About 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-4,5,6,7-tetrahydrobenzimidazole

1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 114562975) has the molecular formula C12H10ClF3N4 and a molecular weight of 302.69 g/mol. Its IUPAC name is 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-4,5,6,7-tetrahydrobenzimidazole
PubChem CID114562975
Molecular FormulaC12H10ClF3N4
Molecular Weight302.69 g/mol
Exact Mass302.05
IUPAC Name1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-4,5,6,7-tetrahydrobenzimidazole
SMILESFC(F)(F)c1cc(-n2cnc3c2CCCC3)nc(Cl)n1
InChIInChI=1S/C12H10ClF3N4/c13-11-18-9(12(14,15)16)5-10(19-11)20-6-17-7-3-1-2-4-8(7)20/h5-6H,1-4H2
InChIKeyMBLOGQMHRLQCFP-UHFFFAOYSA-N
XLogP3.21
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.69
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-4,5,6,7-tetrahydrobenzimidazole (CID 114562975) is 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-4,5,6,7-tetrahydrobenzimidazole is FC(F)(F)c1cc(-n2cnc3c2CCCC3)nc(Cl)n1.
What is the InChIKey of 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is MBLOGQMHRLQCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N4/c13-11-18-9(12(14,15)16)5-10(19-11)20-6-17-7-3-1-2-4-8(7)20/h5-6H,1-4H2.
What are the key properties of 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-4,5,6,7-tetrahydrobenzimidazole?
1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 302.69 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 114562975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).