1-(2-imidazol-1-ylethyl)-4-phenyl-5-(2,4,5-trimethylphenyl)imidazole

C23H24N4 — CID 50956330

IUPAC1-(2-imidazol-1-ylethyl)-4-phenyl-5-(2,4,5-trimethylphenyl)imidazole
SMILESCc1cc(C)c(-c2c(-c3ccccc3)ncn2CCn2ccnc2)cc1C
InChIInChI=1S/C23H24N4/c1-17-13-19(3)21(14-18(17)2)23-22(20-7-5-4-6-8-20)25-16-27(23)12-11-26-10-9-24-15-26/h4-10,13-16H,11-12H2,1-3H3
InChIKeyVWVVQJMDZCFFJF-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.04
Rot. Bonds5

About 1-(2-imidazol-1-ylethyl)-4-phenyl-5-(2,4,5-trimethylphenyl)imidazole

1-(2-imidazol-1-ylethyl)-4-phenyl-5-(2,4,5-trimethylphenyl)imidazole (PubChem CID 50956330) has the molecular formula C23H24N4 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(2-imidazol-1-ylethyl)-4-phenyl-5-(2,4,5-trimethylphenyl)imidazole.

Molecular Properties

Compound Name1-(2-imidazol-1-ylethyl)-4-phenyl-5-(2,4,5-trimethylphenyl)imidazole
PubChem CID50956330
Molecular FormulaC23H24N4
Molecular Weight356.47 g/mol
Exact Mass356.20
IUPAC Name1-(2-imidazol-1-ylethyl)-4-phenyl-5-(2,4,5-trimethylphenyl)imidazole
SMILESCc1cc(C)c(-c2c(-c3ccccc3)ncn2CCn2ccnc2)cc1C
InChIInChI=1S/C23H24N4/c1-17-13-19(3)21(14-18(17)2)23-22(20-7-5-4-6-8-20)25-16-27(23)12-11-26-10-9-24-15-26/h4-10,13-16H,11-12H2,1-3H3
InChIKeyVWVVQJMDZCFFJF-UHFFFAOYSA-N
XLogP5.04
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-5-phenyl-1H-imidazole
CID 10444038
FK-739 free acid
CID 9801627
5,6-dimethyl-1-((4-methylphenyl)methyl)-1H-1,3-benzodiazole
CID 962387
SB-216995
CID 5171
1-methyl-5-(2-naphthyl)-1H-imidazole
CID 11550235
FK-739
CID 23668568
1-phenyl-2-(p-tolyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium bromide
CID 16682272
1-Methyl-5-phenyl-imidazol-2-amine
CID 1132927
1-Methyl-5-phenyl-1H-imidazole
CID 3746343
1-({1-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl}methyl)-4-(naphthalen-1-yl)-1H-pyrrole-3-carbonitrile
CID 23646776
4-[(5-{[5-(naphthalen-1-yl)-1H-indol-1-yl]methyl}-1H-imidazol-1-yl)methyl]benzonitrile
CID 23646778
1-((9H-Fluoren-2-yl)ethyl)-1H-imidazole
CID 9861000

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-ylethyl)-4-phenyl-5-(2,4,5-trimethylphenyl)imidazole?
The IUPAC name of 1-(2-imidazol-1-ylethyl)-4-phenyl-5-(2,4,5-trimethylphenyl)imidazole (CID 50956330) is 1-(2-imidazol-1-ylethyl)-4-phenyl-5-(2,4,5-trimethylphenyl)imidazole.
What is the SMILES notation for 1-(2-imidazol-1-ylethyl)-4-phenyl-5-(2,4,5-trimethylphenyl)imidazole?
The canonical SMILES for 1-(2-imidazol-1-ylethyl)-4-phenyl-5-(2,4,5-trimethylphenyl)imidazole is Cc1cc(C)c(-c2c(-c3ccccc3)ncn2CCn2ccnc2)cc1C.
What is the InChIKey of 1-(2-imidazol-1-ylethyl)-4-phenyl-5-(2,4,5-trimethylphenyl)imidazole?
The InChIKey is VWVVQJMDZCFFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4/c1-17-13-19(3)21(14-18(17)2)23-22(20-7-5-4-6-8-20)25-16-27(23)12-11-26-10-9-24-15-26/h4-10,13-16H,11-12H2,1-3H3.
What are the key properties of 1-(2-imidazol-1-ylethyl)-4-phenyl-5-(2,4,5-trimethylphenyl)imidazole?
1-(2-imidazol-1-ylethyl)-4-phenyl-5-(2,4,5-trimethylphenyl)imidazole has a molecular weight of 356.47 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-ylethyl)-4-phenyl-5-(2,4,5-trimethylphenyl)imidazole is sourced from PubChem (CID 50956330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).