1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole

C20H18N4 — CID 132575754

IUPAC1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole
SMILESCn1ccnc1-c1ccc(-c2ccc(-c3nccn3C)cc2)cc1
InChIInChI=1S/C20H18N4/c1-23-13-11-21-19(23)17-7-3-15(4-8-17)16-5-9-18(10-6-16)20-22-12-14-24(20)2/h3-14H,1-2H3
InChIKeyIARPVSPPLLVQMA-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.15
Rot. Bonds3

About 1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole

1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole (PubChem CID 132575754) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole.

Molecular Properties

Compound Name1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole
PubChem CID132575754
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole
SMILESCn1ccnc1-c1ccc(-c2ccc(-c3nccn3C)cc2)cc1
InChIInChI=1S/C20H18N4/c1-23-13-11-21-19(23)17-7-3-15(4-8-17)16-5-9-18(10-6-16)20-22-12-14-24(20)2/h3-14H,1-2H3
InChIKeyIARPVSPPLLVQMA-UHFFFAOYSA-N
XLogP4.15
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole?
The IUPAC name of 1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole (CID 132575754) is 1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole.
What is the SMILES notation for 1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole?
The canonical SMILES for 1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole is Cn1ccnc1-c1ccc(-c2ccc(-c3nccn3C)cc2)cc1.
What is the InChIKey of 1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole?
The InChIKey is IARPVSPPLLVQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-23-13-11-21-19(23)17-7-3-15(4-8-17)16-5-9-18(10-6-16)20-22-12-14-24(20)2/h3-14H,1-2H3.
What are the key properties of 1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole?
1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole has a molecular weight of 314.39 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole is sourced from PubChem (CID 132575754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).