1-[[3,5-bis(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole

C21H24N6 — CID 5233007

IUPAC1-[[3,5-bis(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole
SMILESCc1c(Cn2ccnc2)c(C)c(Cn2ccnc2)c(C)c1Cn1ccnc1
InChIInChI=1S/C21H24N6/c1-16-19(10-25-7-4-22-13-25)17(2)21(12-27-9-6-24-15-27)18(3)20(16)11-26-8-5-23-14-26/h4-9,13-15H,10-12H2,1-3H3
InChIKeyUAVXIWSFNFWPAX-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.35
Rot. Bonds6

About 1-[[3,5-bis(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole

1-[[3,5-bis(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole (PubChem CID 5233007) has the molecular formula C21H24N6 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[[3,5-bis(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole.

Molecular Properties

Compound Name1-[[3,5-bis(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole
PubChem CID5233007
Molecular FormulaC21H24N6
Molecular Weight360.46 g/mol
Exact Mass360.21
IUPAC Name1-[[3,5-bis(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole
SMILESCc1c(Cn2ccnc2)c(C)c(Cn2ccnc2)c(C)c1Cn1ccnc1
InChIInChI=1S/C21H24N6/c1-16-19(10-25-7-4-22-13-25)17(2)21(12-27-9-6-24-15-27)18(3)20(16)11-26-8-5-23-14-26/h4-9,13-15H,10-12H2,1-3H3
InChIKeyUAVXIWSFNFWPAX-UHFFFAOYSA-N
XLogP3.35
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-bis(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole?
The IUPAC name of 1-[[3,5-bis(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole (CID 5233007) is 1-[[3,5-bis(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole.
What is the SMILES notation for 1-[[3,5-bis(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole?
The canonical SMILES for 1-[[3,5-bis(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole is Cc1c(Cn2ccnc2)c(C)c(Cn2ccnc2)c(C)c1Cn1ccnc1.
What is the InChIKey of 1-[[3,5-bis(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole?
The InChIKey is UAVXIWSFNFWPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-16-19(10-25-7-4-22-13-25)17(2)21(12-27-9-6-24-15-27)18(3)20(16)11-26-8-5-23-14-26/h4-9,13-15H,10-12H2,1-3H3.
What are the key properties of 1-[[3,5-bis(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole?
1-[[3,5-bis(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole has a molecular weight of 360.46 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,5-bis(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole is sourced from PubChem (CID 5233007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).