5-chloro-2-[[2-(3,3-difluoropropyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine

C12H10ClF5N4 — CID 170722452

IUPAC5-chloro-2-[[2-(3,3-difluoropropyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESFC(F)CCc1nc(C(F)(F)F)cn1Cc1ncc(Cl)cn1
InChIInChI=1S/C12H10ClF5N4/c13-7-3-19-10(20-4-7)6-22-5-8(12(16,17)18)21-11(22)2-1-9(14)15/h3-5,9H,1-2,6H2
InChIKeyUKLJDCVSEFGDNR-UHFFFAOYSA-N
MW340.68 g/mol
LogP3.59
Rot. Bonds5

About 5-chloro-2-[[2-(3,3-difluoropropyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine

5-chloro-2-[[2-(3,3-difluoropropyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (PubChem CID 170722452) has the molecular formula C12H10ClF5N4 and a molecular weight of 340.68 g/mol. Its IUPAC name is 5-chloro-2-[[2-(3,3-difluoropropyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[[2-(3,3-difluoropropyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
PubChem CID170722452
Molecular FormulaC12H10ClF5N4
Molecular Weight340.68 g/mol
Exact Mass340.05
IUPAC Name5-chloro-2-[[2-(3,3-difluoropropyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESFC(F)CCc1nc(C(F)(F)F)cn1Cc1ncc(Cl)cn1
InChIInChI=1S/C12H10ClF5N4/c13-7-3-19-10(20-4-7)6-22-5-8(12(16,17)18)21-11(22)2-1-9(14)15/h3-5,9H,1-2,6H2
InChIKeyUKLJDCVSEFGDNR-UHFFFAOYSA-N
XLogP3.59
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.68
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(3,3-difluoropropyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The IUPAC name of 5-chloro-2-[[2-(3,3-difluoropropyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (CID 170722452) is 5-chloro-2-[[2-(3,3-difluoropropyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[[2-(3,3-difluoropropyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The canonical SMILES for 5-chloro-2-[[2-(3,3-difluoropropyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is FC(F)CCc1nc(C(F)(F)F)cn1Cc1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-2-[[2-(3,3-difluoropropyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The InChIKey is UKLJDCVSEFGDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF5N4/c13-7-3-19-10(20-4-7)6-22-5-8(12(16,17)18)21-11(22)2-1-9(14)15/h3-5,9H,1-2,6H2.
What are the key properties of 5-chloro-2-[[2-(3,3-difluoropropyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
5-chloro-2-[[2-(3,3-difluoropropyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine has a molecular weight of 340.68 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-(3,3-difluoropropyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is sourced from PubChem (CID 170722452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).