4-[(2-chlorophenyl)methyl]-1-methylimidazole;4-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-4-[(2-methylphenyl)methyl]imidazole;1-methyl-4-[(3-methylphenyl)methyl]imidazole;1-methyl-4-[(4-methylphenyl)methyl]imidazole

C60H69ClN10 — CID 162100318

IUPAC4-[(2-chlorophenyl)methyl]-1-methylimidazole;4-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-4-[(2-methylphenyl)methyl]imidazole;1-methyl-4-[(3-methylphenyl)methyl]imidazole;1-methyl-4-[(4-methylphenyl)methyl]imidazole
SMILESCc1ccc(Cc2cn(C)cn2)cc1.Cc1cccc(C)c1Cc1cn(C)cn1.Cc1cccc(Cc2cn(C)cn2)c1.Cc1ccccc1Cc1cn(C)cn1.Cn1cnc(Cc2ccccc2Cl)c1
InChIInChI=1S/C13H16N2.3C12H14N2.C11H11ClN2/c1-10-5-4-6-11(2)13(10)7-12-8-15(3)9-14-12;1-10-3-5-11(6-4-10)7-12-8-14(2)9-13-12;1-10-4-3-5-11(6-10)7-12-8-14(2)9-13-12;1-10-5-3-4-6-11(10)7-12-8-14(2)9-13-12;1-14-7-10(13-8-14)6-9-4-2-3-5-11(9)12/h4-6,8-9H,7H2,1-3H3;3*3-6,8-9H,7H2,1-2H3;2-5,7-8H,6H2,1H3
InChIKeyZEUGTBFCVPGVBA-UHFFFAOYSA-N
MW965.74 g/mol
LogP12.25
Rot. Bonds10

About 4-[(2-chlorophenyl)methyl]-1-methylimidazole;4-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-4-[(2-methylphenyl)methyl]imidazole;1-methyl-4-[(3-methylphenyl)methyl]imidazole;1-methyl-4-[(4-methylphenyl)methyl]imidazole

4-[(2-chlorophenyl)methyl]-1-methylimidazole;4-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-4-[(2-methylphenyl)methyl]imidazole;1-methyl-4-[(3-methylphenyl)methyl]imidazole;1-methyl-4-[(4-methylphenyl)methyl]imidazole (PubChem CID 162100318) has the molecular formula C60H69ClN10 and a molecular weight of 965.74 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-1-methylimidazole;4-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-4-[(2-methylphenyl)methyl]imidazole;1-methyl-4-[(3-methylphenyl)methyl]imidazole;1-methyl-4-[(4-methylphenyl)methyl]imidazole.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-1-methylimidazole;4-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-4-[(2-methylphenyl)methyl]imidazole;1-methyl-4-[(3-methylphenyl)methyl]imidazole;1-methyl-4-[(4-methylphenyl)methyl]imidazole
PubChem CID162100318
Molecular FormulaC60H69ClN10
Molecular Weight965.74 g/mol
Exact Mass964.54
IUPAC Name4-[(2-chlorophenyl)methyl]-1-methylimidazole;4-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-4-[(2-methylphenyl)methyl]imidazole;1-methyl-4-[(3-methylphenyl)methyl]imidazole;1-methyl-4-[(4-methylphenyl)methyl]imidazole
SMILESCc1ccc(Cc2cn(C)cn2)cc1.Cc1cccc(C)c1Cc1cn(C)cn1.Cc1cccc(Cc2cn(C)cn2)c1.Cc1ccccc1Cc1cn(C)cn1.Cn1cnc(Cc2ccccc2Cl)c1
InChIInChI=1S/C13H16N2.3C12H14N2.C11H11ClN2/c1-10-5-4-6-11(2)13(10)7-12-8-15(3)9-14-12;1-10-3-5-11(6-4-10)7-12-8-14(2)9-13-12;1-10-4-3-5-11(6-10)7-12-8-14(2)9-13-12;1-10-5-3-4-6-11(10)7-12-8-14(2)9-13-12;1-14-7-10(13-8-14)6-9-4-2-3-5-11(9)12/h4-6,8-9H,7H2,1-3H3;3*3-6,8-9H,7H2,1-2H3;2-5,7-8H,6H2,1H3
InChIKeyZEUGTBFCVPGVBA-UHFFFAOYSA-N
XLogP12.25
TPSA89.10 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500965.74
LogP ≤ 512.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-[(2-chlorophenyl)methyl]-1-methylimidazole;4-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-4-[(2-methylphenyl)methyl]imidazole;1-methyl-4-[(3-methylphenyl)methyl]imidazole;1-methyl-4-[(4-methylphenyl)methyl]imidazole with MolForge

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Related Compounds

1-chloro-4-(2-methylpropyl)benzene;1,3-difluoro-2-(2-methylpropyl)benzene;1-isocyano-2-(2-methylpropyl)benzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;bis(1-methyl-4-(2-methylpropyl)benzene)
CID 158696321
chloro-tris[2-[(3-methylphenyl)methyl]phenyl]silane
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4-benzyl-1-[(4-chlorophenyl)methyl]imidazole
CID 19352208
2-[(2-chlorophenyl)methyl]-5-methylimidazo[1,2-a]pyridine
CID 117132716
4-chloro-2-[(2-chlorophenyl)methyl]-1-methylbenzene
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2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-[(2-methylphenyl)methyl]pyridine
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methane;methylbenzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;yttrium
CID 161347564
[2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-6-yl]methanamine
CID 82223496
1-benzyl-4-methyl-2-propan-2-ylbenzene
CID 59400391

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-1-methylimidazole;4-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-4-[(2-methylphenyl)methyl]imidazole;1-methyl-4-[(3-methylphenyl)methyl]imidazole;1-methyl-4-[(4-methylphenyl)methyl]imidazole?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-1-methylimidazole;4-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-4-[(2-methylphenyl)methyl]imidazole;1-methyl-4-[(3-methylphenyl)methyl]imidazole;1-methyl-4-[(4-methylphenyl)methyl]imidazole (CID 162100318) is 4-[(2-chlorophenyl)methyl]-1-methylimidazole;4-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-4-[(2-methylphenyl)methyl]imidazole;1-methyl-4-[(3-methylphenyl)methyl]imidazole;1-methyl-4-[(4-methylphenyl)methyl]imidazole.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-1-methylimidazole;4-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-4-[(2-methylphenyl)methyl]imidazole;1-methyl-4-[(3-methylphenyl)methyl]imidazole;1-methyl-4-[(4-methylphenyl)methyl]imidazole?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-1-methylimidazole;4-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-4-[(2-methylphenyl)methyl]imidazole;1-methyl-4-[(3-methylphenyl)methyl]imidazole;1-methyl-4-[(4-methylphenyl)methyl]imidazole is Cc1ccc(Cc2cn(C)cn2)cc1.Cc1cccc(C)c1Cc1cn(C)cn1.Cc1cccc(Cc2cn(C)cn2)c1.Cc1ccccc1Cc1cn(C)cn1.Cn1cnc(Cc2ccccc2Cl)c1.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-1-methylimidazole;4-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-4-[(2-methylphenyl)methyl]imidazole;1-methyl-4-[(3-methylphenyl)methyl]imidazole;1-methyl-4-[(4-methylphenyl)methyl]imidazole?
The InChIKey is ZEUGTBFCVPGVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.3C12H14N2.C11H11ClN2/c1-10-5-4-6-11(2)13(10)7-12-8-15(3)9-14-12;1-10-3-5-11(6-4-10)7-12-8-14(2)9-13-12;1-10-4-3-5-11(6-10)7-12-8-14(2)9-13-12;1-10-5-3-4-6-11(10)7-12-8-14(2)9-13-12;1-14-7-10(13-8-14)6-9-4-2-3-5-11(9)12/h4-6,8-9H,7H2,1-3H3;3*3-6,8-9H,7H2,1-2H3;2-5,7-8H,6H2,1H3.
What are the key properties of 4-[(2-chlorophenyl)methyl]-1-methylimidazole;4-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-4-[(2-methylphenyl)methyl]imidazole;1-methyl-4-[(3-methylphenyl)methyl]imidazole;1-methyl-4-[(4-methylphenyl)methyl]imidazole?
4-[(2-chlorophenyl)methyl]-1-methylimidazole;4-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-4-[(2-methylphenyl)methyl]imidazole;1-methyl-4-[(3-methylphenyl)methyl]imidazole;1-methyl-4-[(4-methylphenyl)methyl]imidazole has a molecular weight of 965.74 g/mol, XLogP of 12.25, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-1-methylimidazole;4-[(2,6-dimethylphenyl)methyl]-1-methylimidazole;1-methyl-4-[(2-methylphenyl)methyl]imidazole;1-methyl-4-[(3-methylphenyl)methyl]imidazole;1-methyl-4-[(4-methylphenyl)methyl]imidazole is sourced from PubChem (CID 162100318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).