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

C50H59ClN8 — CID 161079057

IUPAC5-[(2-chlorophenyl)methyl]-2-methyl-1H-imidazole;5-[(2,3-dimethylphenyl)methyl]-2-methyl-1H-imidazole;5-[(2,5-dimethylphenyl)methyl]-2-methyl-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-2-methyl-1H-imidazole
SMILESCc1ccc(C)c(Cc2cnc(C)[nH]2)c1.Cc1ncc(Cc2c(C)cccc2C)[nH]1.Cc1ncc(Cc2cccc(C)c2C)[nH]1.Cc1ncc(Cc2ccccc2Cl)[nH]1
InChIInChI=1S/3C13H16N2.C11H11ClN2/c1-9-4-5-10(2)12(6-9)7-13-8-14-11(3)15-13;1-9-5-4-6-12(10(9)2)7-13-8-14-11(3)15-13;1-9-5-4-6-10(2)13(9)7-12-8-14-11(3)15-12;1-8-13-7-10(14-8)6-9-4-2-3-5-11(9)12/h3*4-6,8H,7H2,1-3H3,(H,14,15);2-5,7H,6H2,1H3,(H,13,14)
InChIKeyUFQZPVUCFWGWTN-UHFFFAOYSA-N
MW807.53 g/mol
LogP11.74
Rot. Bonds8

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

5-[(2-chlorophenyl)methyl]-2-methyl-1H-imidazole;5-[(2,3-dimethylphenyl)methyl]-2-methyl-1H-imidazole;5-[(2,5-dimethylphenyl)methyl]-2-methyl-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-2-methyl-1H-imidazole (PubChem CID 161079057) has the molecular formula C50H59ClN8 and a molecular weight of 807.53 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-2-methyl-1H-imidazole;5-[(2,3-dimethylphenyl)methyl]-2-methyl-1H-imidazole;5-[(2,5-dimethylphenyl)methyl]-2-methyl-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-2-methyl-1H-imidazole.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-2-methyl-1H-imidazole;5-[(2,3-dimethylphenyl)methyl]-2-methyl-1H-imidazole;5-[(2,5-dimethylphenyl)methyl]-2-methyl-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-2-methyl-1H-imidazole
PubChem CID161079057
Molecular FormulaC50H59ClN8
Molecular Weight807.53 g/mol
Exact Mass806.46
IUPAC Name5-[(2-chlorophenyl)methyl]-2-methyl-1H-imidazole;5-[(2,3-dimethylphenyl)methyl]-2-methyl-1H-imidazole;5-[(2,5-dimethylphenyl)methyl]-2-methyl-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-2-methyl-1H-imidazole
SMILESCc1ccc(C)c(Cc2cnc(C)[nH]2)c1.Cc1ncc(Cc2c(C)cccc2C)[nH]1.Cc1ncc(Cc2cccc(C)c2C)[nH]1.Cc1ncc(Cc2ccccc2Cl)[nH]1
InChIInChI=1S/3C13H16N2.C11H11ClN2/c1-9-4-5-10(2)12(6-9)7-13-8-14-11(3)15-13;1-9-5-4-6-12(10(9)2)7-13-8-14-11(3)15-13;1-9-5-4-6-10(2)13(9)7-12-8-14-11(3)15-12;1-8-13-7-10(14-8)6-9-4-2-3-5-11(9)12/h3*4-6,8H,7H2,1-3H3,(H,14,15);2-5,7H,6H2,1H3,(H,13,14)
InChIKeyUFQZPVUCFWGWTN-UHFFFAOYSA-N
XLogP11.74
TPSA114.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.53
LogP ≤ 511.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazol-2-yl]-5-[(2-ethyl-6-methylphenyl)methyl]-1H-imidazole
CID 69119096
5-[(3-chloro-2-fluorophenyl)-phenylmethyl]-1H-imidazole;5-[(3-chloro-2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dichlorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-difluorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dimethylphenyl)-phenylmethyl]-1H-imidazole;5-[(3-fluorophenyl)-phenylmethyl]-1H-imidazole;5-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]-1H-imidazole;5-[(2-methylphenyl)-phenylmethyl]-1H-imidazole
CID 157412552
5-[(3-chloro-2-fluorophenyl)-phenylmethyl]-1H-imidazole;5-[(3-chloro-2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dichlorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-difluorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dimethylphenyl)-phenylmethyl]-1H-imidazole;5-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]-1H-imidazole
CID 159206675
2-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole;2-[(2,6-diethylphenyl)methyl]-1H-imidazole;2-[(2,3,5,6-tetramethylphenyl)methyl]-1H-imidazole
CID 160771412
N-(ethene-1,1,2,2tetrayltetrakis(benzene-4,1-diyl))tetrakis(1-(1h-imidazol-4yl)methanimine)
CID 170458946
5-[(2-chlorophenyl)-diphenylmethyl]-2-methyl-1H-imidazole
CID 53689081
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-[3-methyl-4-[2-methyl-4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 59668766
4-chloro-2-((S)-pyrrolidin-2-yl)-5-(4-(6-(2-((S)-pyrrolidin-2-yl)-1H-imidazol-5-yl)naphthalen-2-yl)phenyl)-1H-imidazole
CID 66981990
5-chloro-2-pyrrolidin-2-yl-4-[4-[6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)naphthalen-2-yl]phenyl]-1H-imidazole
CID 66981993
2-[(2S,5R)-5-methylpyrrolidin-2-yl]-5-[4-[6-[2-[(2S,5R)-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazole
CID 66982231
2-((2S,5S)-5-methyl-2-pyrrolidinyl)-4-(4-(6-(2-((2S,5S)-5-methyl-2-pyrrolidinyl)-1H-imidazol-4-yl)-2-naphthyl)phenyl)-1H-imidazole
CID 66982310

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-2-methyl-1H-imidazole;5-[(2,3-dimethylphenyl)methyl]-2-methyl-1H-imidazole;5-[(2,5-dimethylphenyl)methyl]-2-methyl-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-2-methyl-1H-imidazole?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-2-methyl-1H-imidazole;5-[(2,3-dimethylphenyl)methyl]-2-methyl-1H-imidazole;5-[(2,5-dimethylphenyl)methyl]-2-methyl-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-2-methyl-1H-imidazole (CID 161079057) is 5-[(2-chlorophenyl)methyl]-2-methyl-1H-imidazole;5-[(2,3-dimethylphenyl)methyl]-2-methyl-1H-imidazole;5-[(2,5-dimethylphenyl)methyl]-2-methyl-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-2-methyl-1H-imidazole.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-2-methyl-1H-imidazole;5-[(2,3-dimethylphenyl)methyl]-2-methyl-1H-imidazole;5-[(2,5-dimethylphenyl)methyl]-2-methyl-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-2-methyl-1H-imidazole?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-2-methyl-1H-imidazole;5-[(2,3-dimethylphenyl)methyl]-2-methyl-1H-imidazole;5-[(2,5-dimethylphenyl)methyl]-2-methyl-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-2-methyl-1H-imidazole is Cc1ccc(C)c(Cc2cnc(C)[nH]2)c1.Cc1ncc(Cc2c(C)cccc2C)[nH]1.Cc1ncc(Cc2cccc(C)c2C)[nH]1.Cc1ncc(Cc2ccccc2Cl)[nH]1.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-2-methyl-1H-imidazole;5-[(2,3-dimethylphenyl)methyl]-2-methyl-1H-imidazole;5-[(2,5-dimethylphenyl)methyl]-2-methyl-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-2-methyl-1H-imidazole?
The InChIKey is UFQZPVUCFWGWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H16N2.C11H11ClN2/c1-9-4-5-10(2)12(6-9)7-13-8-14-11(3)15-13;1-9-5-4-6-12(10(9)2)7-13-8-14-11(3)15-13;1-9-5-4-6-10(2)13(9)7-12-8-14-11(3)15-12;1-8-13-7-10(14-8)6-9-4-2-3-5-11(9)12/h3*4-6,8H,7H2,1-3H3,(H,14,15);2-5,7H,6H2,1H3,(H,13,14).
What are the key properties of 5-[(2-chlorophenyl)methyl]-2-methyl-1H-imidazole;5-[(2,3-dimethylphenyl)methyl]-2-methyl-1H-imidazole;5-[(2,5-dimethylphenyl)methyl]-2-methyl-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-2-methyl-1H-imidazole?
5-[(2-chlorophenyl)methyl]-2-methyl-1H-imidazole;5-[(2,3-dimethylphenyl)methyl]-2-methyl-1H-imidazole;5-[(2,5-dimethylphenyl)methyl]-2-methyl-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-2-methyl-1H-imidazole has a molecular weight of 807.53 g/mol, XLogP of 11.74, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-2-methyl-1H-imidazole;5-[(2,3-dimethylphenyl)methyl]-2-methyl-1H-imidazole;5-[(2,5-dimethylphenyl)methyl]-2-methyl-1H-imidazole;5-[(2,6-dimethylphenyl)methyl]-2-methyl-1H-imidazole is sourced from PubChem (CID 161079057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).