4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-phenyl-1H-imidazole

C17H14Cl2N2 — CID 18982640

IUPAC4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-phenyl-1H-imidazole
SMILESCc1[nH]c(-c2ccccc2)nc1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2N2/c1-11-16(9-13-7-8-14(18)10-15(13)19)21-17(20-11)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyKZDSSQYXADTIOI-UHFFFAOYSA-N
MW317.22 g/mol
LogP5.28
Rot. Bonds3

About 4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-phenyl-1H-imidazole

4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-phenyl-1H-imidazole (PubChem CID 18982640) has the molecular formula C17H14Cl2N2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-phenyl-1H-imidazole.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-phenyl-1H-imidazole
PubChem CID18982640
Molecular FormulaC17H14Cl2N2
Molecular Weight317.22 g/mol
Exact Mass316.05
IUPAC Name4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-phenyl-1H-imidazole
SMILESCc1[nH]c(-c2ccccc2)nc1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl2N2/c1-11-16(9-13-7-8-14(18)10-15(13)19)21-17(20-11)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyKZDSSQYXADTIOI-UHFFFAOYSA-N
XLogP5.28
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.22
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-phenyl-1H-imidazole?
The IUPAC name of 4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-phenyl-1H-imidazole (CID 18982640) is 4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-phenyl-1H-imidazole.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-phenyl-1H-imidazole?
The canonical SMILES for 4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-phenyl-1H-imidazole is Cc1[nH]c(-c2ccccc2)nc1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-phenyl-1H-imidazole?
The InChIKey is KZDSSQYXADTIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2/c1-11-16(9-13-7-8-14(18)10-15(13)19)21-17(20-11)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,20,21).
What are the key properties of 4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-phenyl-1H-imidazole?
4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-phenyl-1H-imidazole has a molecular weight of 317.22 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-phenyl-1H-imidazole is sourced from PubChem (CID 18982640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).