1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-(imidazol-1-ylmethyl)imidazole

C14H10ClF3N4O — CID 23445095

IUPAC1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-(imidazol-1-ylmethyl)imidazole
SMILESFC(F)(F)Oc1ccc(-n2cnc(Cn3ccnc3)c2)cc1Cl
InChIInChI=1S/C14H10ClF3N4O/c15-12-5-11(1-2-13(12)23-14(16,17)18)22-7-10(20-9-22)6-21-4-3-19-8-21/h1-5,7-9H,6H2
InChIKeyAZGBQDWVYSUOSE-UHFFFAOYSA-N
MW342.71 g/mol
LogP3.67
Rot. Bonds4

About 1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-(imidazol-1-ylmethyl)imidazole

1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-(imidazol-1-ylmethyl)imidazole (PubChem CID 23445095) has the molecular formula C14H10ClF3N4O and a molecular weight of 342.71 g/mol. Its IUPAC name is 1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-(imidazol-1-ylmethyl)imidazole.

Molecular Properties

Compound Name1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-(imidazol-1-ylmethyl)imidazole
PubChem CID23445095
Molecular FormulaC14H10ClF3N4O
Molecular Weight342.71 g/mol
Exact Mass342.05
IUPAC Name1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-(imidazol-1-ylmethyl)imidazole
SMILESFC(F)(F)Oc1ccc(-n2cnc(Cn3ccnc3)c2)cc1Cl
InChIInChI=1S/C14H10ClF3N4O/c15-12-5-11(1-2-13(12)23-14(16,17)18)22-7-10(20-9-22)6-21-4-3-19-8-21/h1-5,7-9H,6H2
InChIKeyAZGBQDWVYSUOSE-UHFFFAOYSA-N
XLogP3.67
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.71
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-(imidazol-1-ylmethyl)imidazole?
The IUPAC name of 1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-(imidazol-1-ylmethyl)imidazole (CID 23445095) is 1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-(imidazol-1-ylmethyl)imidazole.
What is the SMILES notation for 1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-(imidazol-1-ylmethyl)imidazole?
The canonical SMILES for 1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-(imidazol-1-ylmethyl)imidazole is FC(F)(F)Oc1ccc(-n2cnc(Cn3ccnc3)c2)cc1Cl.
What is the InChIKey of 1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-(imidazol-1-ylmethyl)imidazole?
The InChIKey is AZGBQDWVYSUOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N4O/c15-12-5-11(1-2-13(12)23-14(16,17)18)22-7-10(20-9-22)6-21-4-3-19-8-21/h1-5,7-9H,6H2.
What are the key properties of 1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-(imidazol-1-ylmethyl)imidazole?
1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-(imidazol-1-ylmethyl)imidazole has a molecular weight of 342.71 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(trifluoromethoxy)phenyl]-4-(imidazol-1-ylmethyl)imidazole is sourced from PubChem (CID 23445095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).