2-[(2,6-dichlorophenyl)methyl]-5-methyl-4-phenyl-1H-imidazole

C17H14Cl2N2 — CID 141255877

IUPAC2-[(2,6-dichlorophenyl)methyl]-5-methyl-4-phenyl-1H-imidazole
SMILESCc1[nH]c(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1
InChIInChI=1S/C17H14Cl2N2/c1-11-17(12-6-3-2-4-7-12)21-16(20-11)10-13-14(18)8-5-9-15(13)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeyLIMNNRADYBKLKS-UHFFFAOYSA-N
MW317.22 g/mol
LogP5.28
Rot. Bonds3

About 2-[(2,6-dichlorophenyl)methyl]-5-methyl-4-phenyl-1H-imidazole

2-[(2,6-dichlorophenyl)methyl]-5-methyl-4-phenyl-1H-imidazole (PubChem CID 141255877) has the molecular formula C17H14Cl2N2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-5-methyl-4-phenyl-1H-imidazole.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-5-methyl-4-phenyl-1H-imidazole
PubChem CID141255877
Molecular FormulaC17H14Cl2N2
Molecular Weight317.22 g/mol
Exact Mass316.05
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-5-methyl-4-phenyl-1H-imidazole
SMILESCc1[nH]c(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1
InChIInChI=1S/C17H14Cl2N2/c1-11-17(12-6-3-2-4-7-12)21-16(20-11)10-13-14(18)8-5-9-15(13)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeyLIMNNRADYBKLKS-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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Related Compounds

4-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-5-methyl-1H-imidazole
CID 141255860
(5-methyl-4-phenyl-1H-imidazol-2-yl)methanamine
CID 43649240
5-methyl-4-phenyl-2-(5-phenylpentyl)-1H-imidazole
CID 139695615
2-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one
CID 135418993
3-(5-methyl-4-phenyl-1H-imidazol-2-yl)propanoic acid
CID 82474293
2-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-1H-imidazole-4-carboxylic acid
CID 82305221
2-[(2-chlorophenyl)methyl]-5-methyl-4-(2,4,5-trichlorophenyl)-1H-imidazole
CID 141255861
2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63612279
2-[5-methyl-4-(4-phenylphenyl)-1H-imidazol-2-yl]ethylcarbamic acid
CID 68888401
N-[[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]methyl]aniline
CID 60861436
2-(3,5-dichlorophenyl)-5-methyl-4-phenyl-1H-imidazole
CID 23103031
2-[(2,4-dichlorophenyl)methyl]-5-methyl-4-naphthalen-1-yl-1H-imidazole
CID 91201769

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-5-methyl-4-phenyl-1H-imidazole?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-5-methyl-4-phenyl-1H-imidazole (CID 141255877) is 2-[(2,6-dichlorophenyl)methyl]-5-methyl-4-phenyl-1H-imidazole.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-5-methyl-4-phenyl-1H-imidazole?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-5-methyl-4-phenyl-1H-imidazole is Cc1[nH]c(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-5-methyl-4-phenyl-1H-imidazole?
The InChIKey is LIMNNRADYBKLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2/c1-11-17(12-6-3-2-4-7-12)21-16(20-11)10-13-14(18)8-5-9-15(13)19/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-5-methyl-4-phenyl-1H-imidazole?
2-[(2,6-dichlorophenyl)methyl]-5-methyl-4-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 2-[(2,6-dichlorophenyl)methyl]-5-methyl-4-phenyl-1H-imidazole is sourced from PubChem (CID 141255877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).