2-[4-[4-(1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole

C18H14N4 — CID 66821624

IUPAC2-[4-[4-(1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole
SMILESc1c[nH]c(-c2ccc(-c3ccc(-c4ncc[nH]4)cc3)cc2)n1
InChIInChI=1S/C18H14N4/c1-5-15(17-19-9-10-20-17)6-2-13(1)14-3-7-16(8-4-14)18-21-11-12-22-18/h1-12H,(H,19,20)(H,21,22)
InChIKeyYPACMDHWSSORED-UHFFFAOYSA-N
MW286.34 g/mol
LogP4.13
Rot. Bonds3

About 2-[4-[4-(1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole

2-[4-[4-(1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole (PubChem CID 66821624) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-[4-[4-(1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[4-[4-(1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole
PubChem CID66821624
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name2-[4-[4-(1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole
SMILESc1c[nH]c(-c2ccc(-c3ccc(-c4ncc[nH]4)cc3)cc2)n1
InChIInChI=1S/C18H14N4/c1-5-15(17-19-9-10-20-17)6-2-13(1)14-3-7-16(8-4-14)18-21-11-12-22-18/h1-12H,(H,19,20)(H,21,22)
InChIKeyYPACMDHWSSORED-UHFFFAOYSA-N
XLogP4.13
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole?
The IUPAC name of 2-[4-[4-(1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole (CID 66821624) is 2-[4-[4-(1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole.
What is the SMILES notation for 2-[4-[4-(1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole?
The canonical SMILES for 2-[4-[4-(1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole is c1c[nH]c(-c2ccc(-c3ccc(-c4ncc[nH]4)cc3)cc2)n1.
What is the InChIKey of 2-[4-[4-(1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole?
The InChIKey is YPACMDHWSSORED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-5-15(17-19-9-10-20-17)6-2-13(1)14-3-7-16(8-4-14)18-21-11-12-22-18/h1-12H,(H,19,20)(H,21,22).
What are the key properties of 2-[4-[4-(1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole?
2-[4-[4-(1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole has a molecular weight of 286.34 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole is sourced from PubChem (CID 66821624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).