1-[4-[imidazol-1-yl(phenyl)methyl]phenyl]imidazole

C19H16N4 — CID 14594096

IUPAC1-[4-[imidazol-1-yl(phenyl)methyl]phenyl]imidazole
SMILESc1ccc(C(c2ccc(-n3ccnc3)cc2)n2ccnc2)cc1
InChIInChI=1S/C19H16N4/c1-2-4-16(5-3-1)19(23-13-11-21-15-23)17-6-8-18(9-7-17)22-12-10-20-14-22/h1-15,19H
InChIKeyPKHVIASVIZZRRS-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.71
Rot. Bonds4

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

1-[4-[imidazol-1-yl(phenyl)methyl]phenyl]imidazole (PubChem CID 14594096) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-[4-[imidazol-1-yl(phenyl)methyl]phenyl]imidazole.

Molecular Properties

Compound Name1-[4-[imidazol-1-yl(phenyl)methyl]phenyl]imidazole
PubChem CID14594096
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name1-[4-[imidazol-1-yl(phenyl)methyl]phenyl]imidazole
SMILESc1ccc(C(c2ccc(-n3ccnc3)cc2)n2ccnc2)cc1
InChIInChI=1S/C19H16N4/c1-2-4-16(5-3-1)19(23-13-11-21-15-23)17-6-8-18(9-7-17)22-12-10-20-14-22/h1-15,19H
InChIKeyPKHVIASVIZZRRS-UHFFFAOYSA-N
XLogP3.71
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[imidazol-1-yl(phenyl)methyl]phenyl]imidazole?
The IUPAC name of 1-[4-[imidazol-1-yl(phenyl)methyl]phenyl]imidazole (CID 14594096) is 1-[4-[imidazol-1-yl(phenyl)methyl]phenyl]imidazole.
What is the SMILES notation for 1-[4-[imidazol-1-yl(phenyl)methyl]phenyl]imidazole?
The canonical SMILES for 1-[4-[imidazol-1-yl(phenyl)methyl]phenyl]imidazole is c1ccc(C(c2ccc(-n3ccnc3)cc2)n2ccnc2)cc1.
What is the InChIKey of 1-[4-[imidazol-1-yl(phenyl)methyl]phenyl]imidazole?
The InChIKey is PKHVIASVIZZRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-2-4-16(5-3-1)19(23-13-11-21-15-23)17-6-8-18(9-7-17)22-12-10-20-14-22/h1-15,19H.
What are the key properties of 1-[4-[imidazol-1-yl(phenyl)methyl]phenyl]imidazole?
1-[4-[imidazol-1-yl(phenyl)methyl]phenyl]imidazole has a molecular weight of 300.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[imidazol-1-yl(phenyl)methyl]phenyl]imidazole is sourced from PubChem (CID 14594096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).