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

C13H12N4 — CID 3007430

IUPAC1-[imidazol-1-yl(phenyl)methyl]imidazole
SMILESc1ccc(C(n2ccnc2)n2ccnc2)cc1
InChIInChI=1S/C13H12N4/c1-2-4-12(5-3-1)13(16-8-6-14-10-16)17-9-7-15-11-17/h1-11,13H
InChIKeyCFUFQYGMVSPEFM-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.17
Rot. Bonds3

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

1-[imidazol-1-yl(phenyl)methyl]imidazole (PubChem CID 3007430) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-[imidazol-1-yl(phenyl)methyl]imidazole.

Molecular Properties

Compound Name1-[imidazol-1-yl(phenyl)methyl]imidazole
PubChem CID3007430
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name1-[imidazol-1-yl(phenyl)methyl]imidazole
SMILESc1ccc(C(n2ccnc2)n2ccnc2)cc1
InChIInChI=1S/C13H12N4/c1-2-4-12(5-3-1)13(16-8-6-14-10-16)17-9-7-15-11-17/h1-11,13H
InChIKeyCFUFQYGMVSPEFM-UHFFFAOYSA-N
XLogP2.17
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[imidazol-1-yl(phenyl)methyl]imidazole?
The IUPAC name of 1-[imidazol-1-yl(phenyl)methyl]imidazole (CID 3007430) is 1-[imidazol-1-yl(phenyl)methyl]imidazole.
What is the SMILES notation for 1-[imidazol-1-yl(phenyl)methyl]imidazole?
The canonical SMILES for 1-[imidazol-1-yl(phenyl)methyl]imidazole is c1ccc(C(n2ccnc2)n2ccnc2)cc1.
What is the InChIKey of 1-[imidazol-1-yl(phenyl)methyl]imidazole?
The InChIKey is CFUFQYGMVSPEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-2-4-12(5-3-1)13(16-8-6-14-10-16)17-9-7-15-11-17/h1-11,13H.
What are the key properties of 1-[imidazol-1-yl(phenyl)methyl]imidazole?
1-[imidazol-1-yl(phenyl)methyl]imidazole has a molecular weight of 224.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[imidazol-1-yl(phenyl)methyl]imidazole is sourced from PubChem (CID 3007430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).