5-benzyl-1H-imidazole;5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole;5-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole

C60H69BrN10 — CID 157126159

IUPAC5-benzyl-1H-imidazole;5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole;5-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole
SMILESBrc1ccccc1Cc1cnc[nH]1.CCc1cccc(CC)c1Cc1cnc[nH]1.Cc1cc(C)c(C)c(Cc2cnc[nH]2)c1C.Cc1cccc(C)c1Cc1cnc[nH]1.c1ccc(Cc2cnc[nH]2)cc1
InChIInChI=1S/2C14H18N2.C12H14N2.C10H9BrN2.C10H10N2/c1-9-5-10(2)12(4)14(11(9)3)6-13-7-15-8-16-13;1-3-11-6-5-7-12(4-2)14(11)8-13-9-15-10-16-13;1-9-4-3-5-10(2)12(9)6-11-7-13-8-14-11;11-10-4-2-1-3-8(10)5-9-6-12-7-13-9;1-2-4-9(5-3-1)6-10-7-11-8-12-10/h5,7-8H,6H2,1-4H3,(H,15,16);5-7,9-10H,3-4,8H2,1-2H3,(H,15,16);3-5,7-8H,6H2,1-2H3,(H,13,14);1-4,6-7H,5H2,(H,12,13);1-5,7-8H,6H2,(H,11,12)
InChIKeyAINJKJJXXWSEAL-UHFFFAOYSA-N
MW1010.19 g/mol
LogP13.74
Rot. Bonds12

About 5-benzyl-1H-imidazole;5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole;5-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole

5-benzyl-1H-imidazole;5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole;5-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole (PubChem CID 157126159) has the molecular formula C60H69BrN10 and a molecular weight of 1010.19 g/mol. Its IUPAC name is 5-benzyl-1H-imidazole;5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole;5-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole.

Molecular Properties

Compound Name5-benzyl-1H-imidazole;5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole;5-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole
PubChem CID157126159
Molecular FormulaC60H69BrN10
Molecular Weight1010.19 g/mol
Exact Mass1008.49
IUPAC Name5-benzyl-1H-imidazole;5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole;5-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole
SMILESBrc1ccccc1Cc1cnc[nH]1.CCc1cccc(CC)c1Cc1cnc[nH]1.Cc1cc(C)c(C)c(Cc2cnc[nH]2)c1C.Cc1cccc(C)c1Cc1cnc[nH]1.c1ccc(Cc2cnc[nH]2)cc1
InChIInChI=1S/2C14H18N2.C12H14N2.C10H9BrN2.C10H10N2/c1-9-5-10(2)12(4)14(11(9)3)6-13-7-15-8-16-13;1-3-11-6-5-7-12(4-2)14(11)8-13-9-15-10-16-13;1-9-4-3-5-10(2)12(9)6-11-7-13-8-14-11;11-10-4-2-1-3-8(10)5-9-6-12-7-13-9;1-2-4-9(5-3-1)6-10-7-11-8-12-10/h5,7-8H,6H2,1-4H3,(H,15,16);5-7,9-10H,3-4,8H2,1-2H3,(H,15,16);3-5,7-8H,6H2,1-2H3,(H,13,14);1-4,6-7H,5H2,(H,12,13);1-5,7-8H,6H2,(H,11,12)
InChIKeyAINJKJJXXWSEAL-UHFFFAOYSA-N
XLogP13.74
TPSA143.40 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001010.19
LogP ≤ 513.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 5-benzyl-1H-imidazole;5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole;5-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(ethene-1,1,2,2tetrayltetrakis(benzene-4,1-diyl))tetrakis(1-(1h-imidazol-4yl)methanimine)
CID 170458946
2-[13-[4-[3,5-bis[2-[12-(4,5-diphenyl-1H-imidazol-2-yl)-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-4-phenyl-1H-imidazol-5-yl]-2-[3-[2-[2-[2-[2-[2-(1H-imidazol-2-yl)-4-methylphenyl]ethyl]-5-methylphenyl]-4-phenyl-1H-imidazol-5-yl]-6-(4-phenyl-1H-imidazol-5-yl)-4-[5-phenyl-2-[13-(5-phenyl-1H-imidazol-2-yl)-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-1H-imidazol-4-yl]phenyl]phenyl]phenyl]-5-phenyl-1H-imidazol-2-yl]-5-tricyclo[9.2.2.24,7]heptadeca-1(13),4,6,11,14,16-hexaenyl]-4,5-diphenyl-1H-imidazole
CID 58554891
5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole;5-[1-(2,3-dimethylphenyl)ethyl]-1H-imidazole;5-[(2,3-dimethylphenyl)methyl]-1H-imidazole
CID 67566411
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
5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole
CID 69119670
2-[5-[(2-bromophenyl)methyl]-1H-imidazol-2-yl]-5-[(2,6-dimethylphenyl)methyl]-1H-imidazole
CID 69119671
5-[(2-fluoro-3-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(3-methylphenyl)-phenylmethyl]-1H-imidazole
CID 143835481
1-methyl-2-[3-(1-methyl-4-phenylimidazol-2-yl)phenyl]-4-[4-[4-[5-[4-(2-phenyl-1H-imidazol-5-yl)phenyl]-1H-imidazol-2-yl]phenyl]phenyl]imidazole
CID 147320639
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
5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole
CID 157638970
2-methyl-5-[(2-methylphenyl)methyl]-1H-imidazole;2-methyl-5-[(3-methylphenyl)methyl]-1H-imidazole;2-methyl-5-[(4-methylphenyl)methyl]-1H-imidazole
CID 157941555
5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole
CID 158163611

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1H-imidazole;5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole;5-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole?
The IUPAC name of 5-benzyl-1H-imidazole;5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole;5-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole (CID 157126159) is 5-benzyl-1H-imidazole;5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole;5-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole.
What is the SMILES notation for 5-benzyl-1H-imidazole;5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole;5-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole?
The canonical SMILES for 5-benzyl-1H-imidazole;5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole;5-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole is Brc1ccccc1Cc1cnc[nH]1.CCc1cccc(CC)c1Cc1cnc[nH]1.Cc1cc(C)c(C)c(Cc2cnc[nH]2)c1C.Cc1cccc(C)c1Cc1cnc[nH]1.c1ccc(Cc2cnc[nH]2)cc1.
What is the InChIKey of 5-benzyl-1H-imidazole;5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole;5-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole?
The InChIKey is AINJKJJXXWSEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H18N2.C12H14N2.C10H9BrN2.C10H10N2/c1-9-5-10(2)12(4)14(11(9)3)6-13-7-15-8-16-13;1-3-11-6-5-7-12(4-2)14(11)8-13-9-15-10-16-13;1-9-4-3-5-10(2)12(9)6-11-7-13-8-14-11;11-10-4-2-1-3-8(10)5-9-6-12-7-13-9;1-2-4-9(5-3-1)6-10-7-11-8-12-10/h5,7-8H,6H2,1-4H3,(H,15,16);5-7,9-10H,3-4,8H2,1-2H3,(H,15,16);3-5,7-8H,6H2,1-2H3,(H,13,14);1-4,6-7H,5H2,(H,12,13);1-5,7-8H,6H2,(H,11,12).
What are the key properties of 5-benzyl-1H-imidazole;5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole;5-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole?
5-benzyl-1H-imidazole;5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole;5-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole has a molecular weight of 1010.19 g/mol, XLogP of 13.74, 12 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1H-imidazole;5-[(2-bromophenyl)methyl]-1H-imidazole;5-[(2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-1H-imidazole;5-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole is sourced from PubChem (CID 157126159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).