1-[4-(4-imidazol-1-ylphenyl)phenyl]imidazole

C18H14N4 — CID 57393199

IUPAC1-[4-(4-imidazol-1-ylphenyl)phenyl]imidazole
SMILESc1cn(-c2ccc(-c3ccc(-n4ccnc4)cc3)cc2)cn1
InChIInChI=1S/C18H14N4/c1-5-17(21-11-9-19-13-21)6-2-15(1)16-3-7-18(8-4-16)22-12-10-20-14-22/h1-14H
InChIKeyMIFVIKFUGIBACJ-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.72
Rot. Bonds3

About 1-[4-(4-imidazol-1-ylphenyl)phenyl]imidazole

1-[4-(4-imidazol-1-ylphenyl)phenyl]imidazole (PubChem CID 57393199) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 1-[4-(4-imidazol-1-ylphenyl)phenyl]imidazole.

Molecular Properties

Compound Name1-[4-(4-imidazol-1-ylphenyl)phenyl]imidazole
PubChem CID57393199
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name1-[4-(4-imidazol-1-ylphenyl)phenyl]imidazole
SMILESc1cn(-c2ccc(-c3ccc(-n4ccnc4)cc3)cc2)cn1
InChIInChI=1S/C18H14N4/c1-5-17(21-11-9-19-13-21)6-2-15(1)16-3-7-18(8-4-16)22-12-10-20-14-22/h1-14H
InChIKeyMIFVIKFUGIBACJ-UHFFFAOYSA-N
XLogP3.72
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-imidazol-1-ylphenyl)phenyl]imidazole?
The IUPAC name of 1-[4-(4-imidazol-1-ylphenyl)phenyl]imidazole (CID 57393199) is 1-[4-(4-imidazol-1-ylphenyl)phenyl]imidazole.
What is the SMILES notation for 1-[4-(4-imidazol-1-ylphenyl)phenyl]imidazole?
The canonical SMILES for 1-[4-(4-imidazol-1-ylphenyl)phenyl]imidazole is c1cn(-c2ccc(-c3ccc(-n4ccnc4)cc3)cc2)cn1.
What is the InChIKey of 1-[4-(4-imidazol-1-ylphenyl)phenyl]imidazole?
The InChIKey is MIFVIKFUGIBACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-5-17(21-11-9-19-13-21)6-2-15(1)16-3-7-18(8-4-16)22-12-10-20-14-22/h1-14H.
What are the key properties of 1-[4-(4-imidazol-1-ylphenyl)phenyl]imidazole?
1-[4-(4-imidazol-1-ylphenyl)phenyl]imidazole has a molecular weight of 286.34 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-imidazol-1-ylphenyl)phenyl]imidazole is sourced from PubChem (CID 57393199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).