5-[1-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)ethyl]-1H-imidazole

C21H24N2 — CID 177218655

IUPAC5-[1-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)ethyl]-1H-imidazole
SMILESCc1ccc(CC(c2cnc[nH]2)c2cccc(C)c2C)cc1C
InChIInChI=1S/C21H24N2/c1-14-8-9-18(10-16(14)3)11-20(21-12-22-13-23-21)19-7-5-6-15(2)17(19)4/h5-10,12-13,20H,11H2,1-4H3,(H,22,23)
InChIKeyXDFBGXRYZIIGSA-UHFFFAOYSA-N
MW304.44 g/mol
LogP5.02
Rot. Bonds4

About 5-[1-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)ethyl]-1H-imidazole

5-[1-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)ethyl]-1H-imidazole (PubChem CID 177218655) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 5-[1-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)ethyl]-1H-imidazole.

Molecular Properties

Compound Name5-[1-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)ethyl]-1H-imidazole
PubChem CID177218655
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name5-[1-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)ethyl]-1H-imidazole
SMILESCc1ccc(CC(c2cnc[nH]2)c2cccc(C)c2C)cc1C
InChIInChI=1S/C21H24N2/c1-14-8-9-18(10-16(14)3)11-20(21-12-22-13-23-21)19-7-5-6-15(2)17(19)4/h5-10,12-13,20H,11H2,1-4H3,(H,22,23)
InChIKeyXDFBGXRYZIIGSA-UHFFFAOYSA-N
XLogP5.02
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.44
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]-2-hydroxybenzoic acid
CID 172505577
7-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]-4H-1,4-benzoxazin-3-one
CID 172505740
2-[[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]benzoyl]amino]acetic acid
CID 172505587
N-[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]phenyl]-4-methylcyclohexane-1-carboxamide
CID 176560146
5-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]-N-(oxan-4-yl)pyridine-2-carboxamide
CID 172505548
N-[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]phenyl]oxane-4-carbothioamide
CID 172505756
3-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 177218581
1-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62538146
5-[(1S)-1,2,2,2-tetradeuterio-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole
CID 169437868
N-[4-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethyl]-3-fluorophenyl]acetamide
CID 172505573
2-[2-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethoxy]ethoxy]ethanamine
CID 172505839
N-[2-[2-[2-(2,3-dimethylphenyl)-2-(1H-imidazol-5-yl)ethoxy]ethoxy]ethyl]methanesulfonamide
CID 176559960

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)ethyl]-1H-imidazole?
The IUPAC name of 5-[1-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)ethyl]-1H-imidazole (CID 177218655) is 5-[1-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)ethyl]-1H-imidazole.
What is the SMILES notation for 5-[1-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)ethyl]-1H-imidazole?
The canonical SMILES for 5-[1-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)ethyl]-1H-imidazole is Cc1ccc(CC(c2cnc[nH]2)c2cccc(C)c2C)cc1C.
What is the InChIKey of 5-[1-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)ethyl]-1H-imidazole?
The InChIKey is XDFBGXRYZIIGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-14-8-9-18(10-16(14)3)11-20(21-12-22-13-23-21)19-7-5-6-15(2)17(19)4/h5-10,12-13,20H,11H2,1-4H3,(H,22,23).
What are the key properties of 5-[1-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)ethyl]-1H-imidazole?
5-[1-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)ethyl]-1H-imidazole has a molecular weight of 304.44 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)ethyl]-1H-imidazole is sourced from PubChem (CID 177218655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).