4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-5-[[4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methyl-1H-imidazol-5-yl]methyl]-2-methyl-1H-imidazole

C21H28N8 — CID 59955696

IUPAC4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-5-[[4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methyl-1H-imidazol-5-yl]methyl]-2-methyl-1H-imidazole
SMILESCc1nc(Cc2nc(C)[nH]c2Cc2[nH]c(C)nc2Cc2nc(C)[nH]c2C)c(C)[nH]1
InChIInChI=1S/C21H28N8/c1-10-16(24-12(3)22-10)7-18-20(28-14(5)26-18)9-21-19(27-15(6)29-21)8-17-11(2)23-13(4)25-17/h7-9H2,1-6H3,(H,22,24)(H,23,25)(H,26,28)(H,27,29)
InChIKeyITOYKOXZEAJXCS-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.20
Rot. Bonds6

About 4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-5-[[4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methyl-1H-imidazol-5-yl]methyl]-2-methyl-1H-imidazole

4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-5-[[4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methyl-1H-imidazol-5-yl]methyl]-2-methyl-1H-imidazole (PubChem CID 59955696) has the molecular formula C21H28N8 and a molecular weight of 392.51 g/mol. Its IUPAC name is 4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-5-[[4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methyl-1H-imidazol-5-yl]methyl]-2-methyl-1H-imidazole.

Molecular Properties

Compound Name4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-5-[[4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methyl-1H-imidazol-5-yl]methyl]-2-methyl-1H-imidazole
PubChem CID59955696
Molecular FormulaC21H28N8
Molecular Weight392.51 g/mol
Exact Mass392.24
IUPAC Name4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-5-[[4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methyl-1H-imidazol-5-yl]methyl]-2-methyl-1H-imidazole
SMILESCc1nc(Cc2nc(C)[nH]c2Cc2[nH]c(C)nc2Cc2nc(C)[nH]c2C)c(C)[nH]1
InChIInChI=1S/C21H28N8/c1-10-16(24-12(3)22-10)7-18-20(28-14(5)26-18)9-21-19(27-15(6)29-21)8-17-11(2)23-13(4)25-17/h7-9H2,1-6H3,(H,22,24)(H,23,25)(H,26,28)(H,27,29)
InChIKeyITOYKOXZEAJXCS-UHFFFAOYSA-N
XLogP3.20
TPSA114.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-5-[[4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methyl-1H-imidazol-5-yl]methyl]-2-methyl-1H-imidazole with MolForge

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Related Compounds

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[4-(hydroxymethyl)-2-methyl-1H-imidazol-5-yl]methanol
CID 10920614
5-methyl-4-[(5-methyl-2-prop-2-enyl-1H-imidazol-4-yl)methyl]-2-prop-2-enyl-1H-imidazole
CID 70142534
5-(bromomethyl)-4-chloro-2-methyl-1H-imidazole
CID 90873915
5-(aminomethyl)-2-methyl-1H-imidazole-4-carboxylic acid
CID 83670470
2-(2,5-dimethyl-1H-imidazol-4-yl)butanoic acid
CID 82407763
1-(2,5-dimethyl-1H-imidazol-4-yl)ethane-1,2-diamine
CID 82416521
5-(chloromethyl)-2-methyl-4-propan-2-yl-1H-imidazole
CID 165441572
2-(4-bromo-2-methyl-1H-imidazol-5-yl)ethanamine
CID 83638263
(4-tert-butyl-2-methyl-1H-imidazol-5-yl)methanamine
CID 82373832
4-ethyl-5-methyl-1H-imidazol-2-amine
CID 64981566

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-5-[[4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methyl-1H-imidazol-5-yl]methyl]-2-methyl-1H-imidazole?
The IUPAC name of 4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-5-[[4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methyl-1H-imidazol-5-yl]methyl]-2-methyl-1H-imidazole (CID 59955696) is 4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-5-[[4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methyl-1H-imidazol-5-yl]methyl]-2-methyl-1H-imidazole.
What is the SMILES notation for 4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-5-[[4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methyl-1H-imidazol-5-yl]methyl]-2-methyl-1H-imidazole?
The canonical SMILES for 4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-5-[[4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methyl-1H-imidazol-5-yl]methyl]-2-methyl-1H-imidazole is Cc1nc(Cc2nc(C)[nH]c2Cc2[nH]c(C)nc2Cc2nc(C)[nH]c2C)c(C)[nH]1.
What is the InChIKey of 4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-5-[[4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methyl-1H-imidazol-5-yl]methyl]-2-methyl-1H-imidazole?
The InChIKey is ITOYKOXZEAJXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8/c1-10-16(24-12(3)22-10)7-18-20(28-14(5)26-18)9-21-19(27-15(6)29-21)8-17-11(2)23-13(4)25-17/h7-9H2,1-6H3,(H,22,24)(H,23,25)(H,26,28)(H,27,29).
What are the key properties of 4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-5-[[4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methyl-1H-imidazol-5-yl]methyl]-2-methyl-1H-imidazole?
4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-5-[[4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methyl-1H-imidazol-5-yl]methyl]-2-methyl-1H-imidazole has a molecular weight of 392.51 g/mol, XLogP of 3.20, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-5-[[4-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methyl-1H-imidazol-5-yl]methyl]-2-methyl-1H-imidazole is sourced from PubChem (CID 59955696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).