1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2-cyclopropylimidazol-1-yl)methyl]triazole

C16H13ClF3N5 — CID 118870120

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2-cyclopropylimidazol-1-yl)methyl]triazole
SMILESFC(F)(F)c1cc(-n2cc(Cn3ccnc3C3CC3)nn2)ccc1Cl
InChIInChI=1S/C16H13ClF3N5/c17-14-4-3-12(7-13(14)16(18,19)20)25-9-11(22-23-25)8-24-6-5-21-15(24)10-1-2-10/h3-7,9-10H,1-2,8H2
InChIKeyUULWSVSDBXUUNT-UHFFFAOYSA-N
MW367.76 g/mol
LogP4.06
Rot. Bonds4

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2-cyclopropylimidazol-1-yl)methyl]triazole

1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2-cyclopropylimidazol-1-yl)methyl]triazole (PubChem CID 118870120) has the molecular formula C16H13ClF3N5 and a molecular weight of 367.76 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2-cyclopropylimidazol-1-yl)methyl]triazole.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2-cyclopropylimidazol-1-yl)methyl]triazole
PubChem CID118870120
Molecular FormulaC16H13ClF3N5
Molecular Weight367.76 g/mol
Exact Mass367.08
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2-cyclopropylimidazol-1-yl)methyl]triazole
SMILESFC(F)(F)c1cc(-n2cc(Cn3ccnc3C3CC3)nn2)ccc1Cl
InChIInChI=1S/C16H13ClF3N5/c17-14-4-3-12(7-13(14)16(18,19)20)25-9-11(22-23-25)8-24-6-5-21-15(24)10-1-2-10/h3-7,9-10H,1-2,8H2
InChIKeyUULWSVSDBXUUNT-UHFFFAOYSA-N
XLogP4.06
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.76
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2-cyclopropylimidazol-1-yl)methyl]triazole?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2-cyclopropylimidazol-1-yl)methyl]triazole (CID 118870120) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2-cyclopropylimidazol-1-yl)methyl]triazole.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2-cyclopropylimidazol-1-yl)methyl]triazole?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2-cyclopropylimidazol-1-yl)methyl]triazole is FC(F)(F)c1cc(-n2cc(Cn3ccnc3C3CC3)nn2)ccc1Cl.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2-cyclopropylimidazol-1-yl)methyl]triazole?
The InChIKey is UULWSVSDBXUUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3N5/c17-14-4-3-12(7-13(14)16(18,19)20)25-9-11(22-23-25)8-24-6-5-21-15(24)10-1-2-10/h3-7,9-10H,1-2,8H2.
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2-cyclopropylimidazol-1-yl)methyl]triazole?
1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2-cyclopropylimidazol-1-yl)methyl]triazole has a molecular weight of 367.76 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(2-cyclopropylimidazol-1-yl)methyl]triazole is sourced from PubChem (CID 118870120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).