1-(3-imidazol-1-yl-2,4-diphenylcyclobutyl)imidazole

C22H20N4 — CID 177441763

IUPAC1-(3-imidazol-1-yl-2,4-diphenylcyclobutyl)imidazole
SMILESc1ccc(C2C(n3ccnc3)C(c3ccccc3)C2n2ccnc2)cc1
InChIInChI=1S/C22H20N4/c1-3-7-17(8-4-1)19-21(25-13-11-23-15-25)20(18-9-5-2-6-10-18)22(19)26-14-12-24-16-26/h1-16,19-22H
InChIKeyPIUXCHZGVSHSBY-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.44
Rot. Bonds4

About 1-(3-imidazol-1-yl-2,4-diphenylcyclobutyl)imidazole

1-(3-imidazol-1-yl-2,4-diphenylcyclobutyl)imidazole (PubChem CID 177441763) has the molecular formula C22H20N4 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(3-imidazol-1-yl-2,4-diphenylcyclobutyl)imidazole.

Molecular Properties

Compound Name1-(3-imidazol-1-yl-2,4-diphenylcyclobutyl)imidazole
PubChem CID177441763
Molecular FormulaC22H20N4
Molecular Weight340.43 g/mol
Exact Mass340.17
IUPAC Name1-(3-imidazol-1-yl-2,4-diphenylcyclobutyl)imidazole
SMILESc1ccc(C2C(n3ccnc3)C(c3ccccc3)C2n2ccnc2)cc1
InChIInChI=1S/C22H20N4/c1-3-7-17(8-4-1)19-21(25-13-11-23-15-25)20(18-9-5-2-6-10-18)22(19)26-14-12-24-16-26/h1-16,19-22H
InChIKeyPIUXCHZGVSHSBY-UHFFFAOYSA-N
XLogP4.44
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-yl-2,4-diphenylcyclobutyl)imidazole?
The IUPAC name of 1-(3-imidazol-1-yl-2,4-diphenylcyclobutyl)imidazole (CID 177441763) is 1-(3-imidazol-1-yl-2,4-diphenylcyclobutyl)imidazole.
What is the SMILES notation for 1-(3-imidazol-1-yl-2,4-diphenylcyclobutyl)imidazole?
The canonical SMILES for 1-(3-imidazol-1-yl-2,4-diphenylcyclobutyl)imidazole is c1ccc(C2C(n3ccnc3)C(c3ccccc3)C2n2ccnc2)cc1.
What is the InChIKey of 1-(3-imidazol-1-yl-2,4-diphenylcyclobutyl)imidazole?
The InChIKey is PIUXCHZGVSHSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4/c1-3-7-17(8-4-1)19-21(25-13-11-23-15-25)20(18-9-5-2-6-10-18)22(19)26-14-12-24-16-26/h1-16,19-22H.
What are the key properties of 1-(3-imidazol-1-yl-2,4-diphenylcyclobutyl)imidazole?
1-(3-imidazol-1-yl-2,4-diphenylcyclobutyl)imidazole has a molecular weight of 340.43 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-yl-2,4-diphenylcyclobutyl)imidazole is sourced from PubChem (CID 177441763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).