5-[(2-chlorophenyl)methyl]-1-methylimidazole;5-[(2,3-dimethylphenyl)methyl]-1-methylimidazole;5-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-5-[(3-methylphenyl)methyl]imidazole

C49H57ClN8 — CID 158545958

IUPAC5-[(2-chlorophenyl)methyl]-1-methylimidazole;5-[(2,3-dimethylphenyl)methyl]-1-methylimidazole;5-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-5-[(3-methylphenyl)methyl]imidazole
SMILESCc1cccc(C)c1Cc1cncn1C.Cc1cccc(Cc2cncn2C)c1.Cc1cccc(Cc2cncn2C)c1C.Cn1cncc1Cc1ccccc1Cl
InChIInChI=1S/2C13H16N2.C12H14N2.C11H11ClN2/c1-10-5-4-6-12(11(10)2)7-13-8-14-9-15(13)3;1-10-5-4-6-11(2)13(10)7-12-8-14-9-15(12)3;1-10-4-3-5-11(6-10)7-12-8-13-9-14(12)2;1-14-8-13-7-10(14)6-9-4-2-3-5-11(9)12/h2*4-6,8-9H,7H2,1-3H3;3-6,8-9H,7H2,1-2H3;2-5,7-8H,6H2,1H3
InChIKeyHPCOEVAFXHPSAV-UHFFFAOYSA-N
MW793.50 g/mol
LogP10.24
Rot. Bonds8

About 5-[(2-chlorophenyl)methyl]-1-methylimidazole;5-[(2,3-dimethylphenyl)methyl]-1-methylimidazole;5-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-5-[(3-methylphenyl)methyl]imidazole

5-[(2-chlorophenyl)methyl]-1-methylimidazole;5-[(2,3-dimethylphenyl)methyl]-1-methylimidazole;5-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-5-[(3-methylphenyl)methyl]imidazole (PubChem CID 158545958) has the molecular formula C49H57ClN8 and a molecular weight of 793.50 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-1-methylimidazole;5-[(2,3-dimethylphenyl)methyl]-1-methylimidazole;5-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-5-[(3-methylphenyl)methyl]imidazole.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-1-methylimidazole;5-[(2,3-dimethylphenyl)methyl]-1-methylimidazole;5-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-5-[(3-methylphenyl)methyl]imidazole
PubChem CID158545958
Molecular FormulaC49H57ClN8
Molecular Weight793.50 g/mol
Exact Mass792.44
IUPAC Name5-[(2-chlorophenyl)methyl]-1-methylimidazole;5-[(2,3-dimethylphenyl)methyl]-1-methylimidazole;5-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-5-[(3-methylphenyl)methyl]imidazole
SMILESCc1cccc(C)c1Cc1cncn1C.Cc1cccc(Cc2cncn2C)c1.Cc1cccc(Cc2cncn2C)c1C.Cn1cncc1Cc1ccccc1Cl
InChIInChI=1S/2C13H16N2.C12H14N2.C11H11ClN2/c1-10-5-4-6-12(11(10)2)7-13-8-14-9-15(13)3;1-10-5-4-6-11(2)13(10)7-12-8-14-9-15(12)3;1-10-4-3-5-11(6-10)7-12-8-13-9-14(12)2;1-14-8-13-7-10(14)6-9-4-2-3-5-11(9)12/h2*4-6,8-9H,7H2,1-3H3;3-6,8-9H,7H2,1-2H3;2-5,7-8H,6H2,1H3
InChIKeyHPCOEVAFXHPSAV-UHFFFAOYSA-N
XLogP10.24
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.50
LogP ≤ 510.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-Amino-5-(4-chlorophenyl)-1-methylimidazole
CID 139065146
CID 57231951
CID 57231951
5-[(2-Chlorophenyl)methyl]-1-methylimidazol-2-amine
CID 67315248
5-[(2,6-dimethylphenyl)methyl]-2-[1,3,9-tris(2,6-dimethylphenyl)-2,6,7-tris(1H-imidazol-5-yl)nonyl]-1H-imidazole
CID 67914458
Bis(2-chlorophenyl)-methylborane;1-(2-phenylethyl)-5-(3-phenylpentyl)imidazole
CID 67927754
CID 88515352
CID 88515352
5-[(4-chlorophenyl)-[3-[(1Z)-1-(3-chlorophenyl)-3-methylbuta-1,3-dienyl]-4-methylphenyl]methyl]-1-methylimidazole;ethane;methane
CID 143665311
1-Chloro-2-(3-ethylphenyl)benzene;1,4-dimethylcyclohexane;ethane;ethene;1-methyl-4-prop-2-enylimidazole
CID 143682668
2-(1-benzylimidazol-2-yl)-4-[(E)-2-[2-(1-benzylimidazol-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]ethenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole
CID 156904236
2-(1-benzylimidazol-2-yl)-4-[(Z)-2-[2-(1-benzylimidazol-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazol-4-yl]ethenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole
CID 157216311
5-benzyl-1H-imidazole;5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2-chlorophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole
CID 157371422
1-Benzyl-5-[(2,6-dimethylphenyl)methyl]imidazole;1,4-bis[(2-chlorophenyl)methyl]imidazole;1,5-bis[(2-methylphenyl)methyl]imidazole
CID 157855679

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-1-methylimidazole;5-[(2,3-dimethylphenyl)methyl]-1-methylimidazole;5-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-5-[(3-methylphenyl)methyl]imidazole?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-1-methylimidazole;5-[(2,3-dimethylphenyl)methyl]-1-methylimidazole;5-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-5-[(3-methylphenyl)methyl]imidazole (CID 158545958) is 5-[(2-chlorophenyl)methyl]-1-methylimidazole;5-[(2,3-dimethylphenyl)methyl]-1-methylimidazole;5-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-5-[(3-methylphenyl)methyl]imidazole.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-1-methylimidazole;5-[(2,3-dimethylphenyl)methyl]-1-methylimidazole;5-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-5-[(3-methylphenyl)methyl]imidazole?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-1-methylimidazole;5-[(2,3-dimethylphenyl)methyl]-1-methylimidazole;5-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-5-[(3-methylphenyl)methyl]imidazole is Cc1cccc(C)c1Cc1cncn1C.Cc1cccc(Cc2cncn2C)c1.Cc1cccc(Cc2cncn2C)c1C.Cn1cncc1Cc1ccccc1Cl.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-1-methylimidazole;5-[(2,3-dimethylphenyl)methyl]-1-methylimidazole;5-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-5-[(3-methylphenyl)methyl]imidazole?
The InChIKey is HPCOEVAFXHPSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H16N2.C12H14N2.C11H11ClN2/c1-10-5-4-6-12(11(10)2)7-13-8-14-9-15(13)3;1-10-5-4-6-11(2)13(10)7-12-8-14-9-15(12)3;1-10-4-3-5-11(6-10)7-12-8-13-9-14(12)2;1-14-8-13-7-10(14)6-9-4-2-3-5-11(9)12/h2*4-6,8-9H,7H2,1-3H3;3-6,8-9H,7H2,1-2H3;2-5,7-8H,6H2,1H3.
What are the key properties of 5-[(2-chlorophenyl)methyl]-1-methylimidazole;5-[(2,3-dimethylphenyl)methyl]-1-methylimidazole;5-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-5-[(3-methylphenyl)methyl]imidazole?
5-[(2-chlorophenyl)methyl]-1-methylimidazole;5-[(2,3-dimethylphenyl)methyl]-1-methylimidazole;5-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-5-[(3-methylphenyl)methyl]imidazole has a molecular weight of 793.50 g/mol, XLogP of 10.24, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-1-methylimidazole;5-[(2,3-dimethylphenyl)methyl]-1-methylimidazole;5-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-5-[(3-methylphenyl)methyl]imidazole is sourced from PubChem (CID 158545958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).