2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]imidazole

C21H24N2 — CID 66771389

IUPAC2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]imidazole
SMILESCc1ccccc1Cn1ccnc1[C@@H](C)c1cccc(C)c1C
InChIInChI=1S/C21H24N2/c1-15-9-7-11-20(17(15)3)18(4)21-22-12-13-23(21)14-19-10-6-5-8-16(19)2/h5-13,18H,14H2,1-4H3/t18-/m0/s1
InChIKeyOVFJNRYANRLQTD-SFHVURJKSA-N
MW304.44 g/mol
LogP5.01
Rot. Bonds4

About 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]imidazole

2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]imidazole (PubChem CID 66771389) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]imidazole.

Molecular Properties

Compound Name2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]imidazole
PubChem CID66771389
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]imidazole
SMILESCc1ccccc1Cn1ccnc1[C@@H](C)c1cccc(C)c1C
InChIInChI=1S/C21H24N2/c1-15-9-7-11-20(17(15)3)18(4)21-22-12-13-23(21)14-19-10-6-5-8-16(19)2/h5-13,18H,14H2,1-4H3/t18-/m0/s1
InChIKeyOVFJNRYANRLQTD-SFHVURJKSA-N
XLogP5.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.44
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1-[[2-(trifluoromethoxy)phenyl]methyl]imidazole
CID 66771388
2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]imidazole
CID 66773098
[2-[1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl 2-methylpropanoate
CID 66771153
2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1-[(4-methylsulfonylphenyl)methyl]imidazole
CID 66773708
2-[1-(2,3-dimethylphenyl)ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]imidazole
CID 24739410
4-[2-[1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]-2,2-dimethylbutanoic acid
CID 67081874
2-(2-methylphenyl)ethyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate
CID 68676617
[2-[(1R)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl 2,2-dimethylpropanoate
CID 68677889
1-[(2-methylphenyl)methyl]-N-phenylimidazol-2-amine
CID 106563124
2-[2-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetic acid
CID 113314417
1-[1-[(2-methylphenyl)methyl]imidazol-2-yl]butan-2-amine
CID 55181659
[2-fluoro-3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]methanamine
CID 107113824

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]imidazole?
The IUPAC name of 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]imidazole (CID 66771389) is 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]imidazole.
What is the SMILES notation for 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]imidazole?
The canonical SMILES for 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]imidazole is Cc1ccccc1Cn1ccnc1[C@@H](C)c1cccc(C)c1C.
What is the InChIKey of 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]imidazole?
The InChIKey is OVFJNRYANRLQTD-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24N2/c1-15-9-7-11-20(17(15)3)18(4)21-22-12-13-23(21)14-19-10-6-5-8-16(19)2/h5-13,18H,14H2,1-4H3/t18-/m0/s1.
What are the key properties of 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]imidazole?
2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]imidazole has a molecular weight of 304.44 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]imidazole is sourced from PubChem (CID 66771389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).