2-benzhydryl-1-[(3-methylphenyl)methyl]imidazole

C24H22N2 — CID 24947490

IUPAC2-benzhydryl-1-[(3-methylphenyl)methyl]imidazole
SMILESCc1cccc(Cn2ccnc2C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H22N2/c1-19-9-8-10-20(17-19)18-26-16-15-25-24(26)23(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-17,23H,18H2,1H3
InChIKeyYSVFTYOKUZRKOL-UHFFFAOYSA-N
MW338.45 g/mol
LogP5.42
Rot. Bonds5

About 2-benzhydryl-1-[(3-methylphenyl)methyl]imidazole

2-benzhydryl-1-[(3-methylphenyl)methyl]imidazole (PubChem CID 24947490) has the molecular formula C24H22N2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-benzhydryl-1-[(3-methylphenyl)methyl]imidazole.

Molecular Properties

Compound Name2-benzhydryl-1-[(3-methylphenyl)methyl]imidazole
PubChem CID24947490
Molecular FormulaC24H22N2
Molecular Weight338.45 g/mol
Exact Mass338.18
IUPAC Name2-benzhydryl-1-[(3-methylphenyl)methyl]imidazole
SMILESCc1cccc(Cn2ccnc2C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H22N2/c1-19-9-8-10-20(17-19)18-26-16-15-25-24(26)23(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-17,23H,18H2,1H3
InChIKeyYSVFTYOKUZRKOL-UHFFFAOYSA-N
XLogP5.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-1-[(3-methylphenyl)methyl]imidazole?
The IUPAC name of 2-benzhydryl-1-[(3-methylphenyl)methyl]imidazole (CID 24947490) is 2-benzhydryl-1-[(3-methylphenyl)methyl]imidazole.
What is the SMILES notation for 2-benzhydryl-1-[(3-methylphenyl)methyl]imidazole?
The canonical SMILES for 2-benzhydryl-1-[(3-methylphenyl)methyl]imidazole is Cc1cccc(Cn2ccnc2C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-benzhydryl-1-[(3-methylphenyl)methyl]imidazole?
The InChIKey is YSVFTYOKUZRKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2/c1-19-9-8-10-20(17-19)18-26-16-15-25-24(26)23(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-17,23H,18H2,1H3.
What are the key properties of 2-benzhydryl-1-[(3-methylphenyl)methyl]imidazole?
2-benzhydryl-1-[(3-methylphenyl)methyl]imidazole has a molecular weight of 338.45 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-1-[(3-methylphenyl)methyl]imidazole is sourced from PubChem (CID 24947490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).