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

C17H20N4 — CID 11460187

IUPAC1-[[3-(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole
SMILESCc1cc(C)c(Cn2ccnc2)c(C)c1Cn1ccnc1
InChIInChI=1S/C17H20N4/c1-13-8-14(2)17(10-21-7-5-19-12-21)15(3)16(13)9-20-6-4-18-11-20/h4-8,11-12H,9-10H2,1-3H3
InChIKeyKQJVBDLESMDEHN-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.10
Rot. Bonds4

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

1-[[3-(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole (PubChem CID 11460187) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-[[3-(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole.

Molecular Properties

Compound Name1-[[3-(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole
PubChem CID11460187
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name1-[[3-(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole
SMILESCc1cc(C)c(Cn2ccnc2)c(C)c1Cn1ccnc1
InChIInChI=1S/C17H20N4/c1-13-8-14(2)17(10-21-7-5-19-12-21)15(3)16(13)9-20-6-4-18-11-20/h4-8,11-12H,9-10H2,1-3H3
InChIKeyKQJVBDLESMDEHN-UHFFFAOYSA-N
XLogP3.10
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[3-(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole?
The IUPAC name of 1-[[3-(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole (CID 11460187) is 1-[[3-(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole.
What is the SMILES notation for 1-[[3-(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole?
The canonical SMILES for 1-[[3-(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole is Cc1cc(C)c(Cn2ccnc2)c(C)c1Cn1ccnc1.
What is the InChIKey of 1-[[3-(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole?
The InChIKey is KQJVBDLESMDEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-13-8-14(2)17(10-21-7-5-19-12-21)15(3)16(13)9-20-6-4-18-11-20/h4-8,11-12H,9-10H2,1-3H3.
What are the key properties of 1-[[3-(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole?
1-[[3-(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole has a molecular weight of 280.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(imidazol-1-ylmethyl)-2,4,6-trimethylphenyl]methyl]imidazole is sourced from PubChem (CID 11460187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).