1-[3,5-bis[(1H-imidazol-2-ylmethylamino)methyl]-2,4,6-trimethylphenyl]-N-(1H-imidazol-2-ylmethyl)methanamine

C24H33N9 — CID 72697709

IUPAC1-[3,5-bis[(1H-imidazol-2-ylmethylamino)methyl]-2,4,6-trimethylphenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
SMILESCc1c(CNCc2ncc[nH]2)c(C)c(CNCc2ncc[nH]2)c(C)c1CNCc1ncc[nH]1
InChIInChI=1S/C24H33N9/c1-16-19(10-25-13-22-28-4-5-29-22)17(2)21(12-27-15-24-32-8-9-33-24)18(3)20(16)11-26-14-23-30-6-7-31-23/h4-9,25-27H,10-15H2,1-3H3,(H,28,29)(H,30,31)(H,32,33)
InChIKeyOSWDGVZJRZDOQD-UHFFFAOYSA-N
MW447.59 g/mol
LogP2.65
Rot. Bonds12

About 1-[3,5-bis[(1H-imidazol-2-ylmethylamino)methyl]-2,4,6-trimethylphenyl]-N-(1H-imidazol-2-ylmethyl)methanamine

1-[3,5-bis[(1H-imidazol-2-ylmethylamino)methyl]-2,4,6-trimethylphenyl]-N-(1H-imidazol-2-ylmethyl)methanamine (PubChem CID 72697709) has the molecular formula C24H33N9 and a molecular weight of 447.59 g/mol. Its IUPAC name is 1-[3,5-bis[(1H-imidazol-2-ylmethylamino)methyl]-2,4,6-trimethylphenyl]-N-(1H-imidazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[3,5-bis[(1H-imidazol-2-ylmethylamino)methyl]-2,4,6-trimethylphenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
PubChem CID72697709
Molecular FormulaC24H33N9
Molecular Weight447.59 g/mol
Exact Mass447.29
IUPAC Name1-[3,5-bis[(1H-imidazol-2-ylmethylamino)methyl]-2,4,6-trimethylphenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
SMILESCc1c(CNCc2ncc[nH]2)c(C)c(CNCc2ncc[nH]2)c(C)c1CNCc1ncc[nH]1
InChIInChI=1S/C24H33N9/c1-16-19(10-25-13-22-28-4-5-29-22)17(2)21(12-27-15-24-32-8-9-33-24)18(3)20(16)11-26-14-23-30-6-7-31-23/h4-9,25-27H,10-15H2,1-3H3,(H,28,29)(H,30,31)(H,32,33)
InChIKeyOSWDGVZJRZDOQD-UHFFFAOYSA-N
XLogP2.65
TPSA122.13 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.59
LogP ≤ 52.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 1-[3,5-bis[(1H-imidazol-2-ylmethylamino)methyl]-2,4,6-trimethylphenyl]-N-(1H-imidazol-2-ylmethyl)methanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-(1H-imidazol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275587
N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
CID 46784320
N-(1H-imidazol-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904708
(2R)-1-(1H-imidazol-2-ylmethylamino)propan-2-ol
CID 92763391
N-(1H-imidazol-2-ylmethyl)-2-methylsulfanylethanamine
CID 63001194
2,2-diethyl-N-(1H-imidazol-2-ylmethyl)butan-1-amine
CID 115694922
1-(3-bromo-4-methylphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine
CID 105401529
1-(3,5-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)methanamine
CID 63001959
N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine;methane;molecular hydrogen
CID 142079283
N-(1H-imidazol-2-ylmethyl)-2,2,3-trimethylbutan-1-amine
CID 102610018
2-[(1H-imidazol-2-ylmethylamino)methyl]phenol
CID 63001095
N-(1H-imidazol-2-ylmethyl)-1-(2-methoxynaphthalen-1-yl)methanamine
CID 63001644

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis[(1H-imidazol-2-ylmethylamino)methyl]-2,4,6-trimethylphenyl]-N-(1H-imidazol-2-ylmethyl)methanamine?
The IUPAC name of 1-[3,5-bis[(1H-imidazol-2-ylmethylamino)methyl]-2,4,6-trimethylphenyl]-N-(1H-imidazol-2-ylmethyl)methanamine (CID 72697709) is 1-[3,5-bis[(1H-imidazol-2-ylmethylamino)methyl]-2,4,6-trimethylphenyl]-N-(1H-imidazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[3,5-bis[(1H-imidazol-2-ylmethylamino)methyl]-2,4,6-trimethylphenyl]-N-(1H-imidazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-[3,5-bis[(1H-imidazol-2-ylmethylamino)methyl]-2,4,6-trimethylphenyl]-N-(1H-imidazol-2-ylmethyl)methanamine is Cc1c(CNCc2ncc[nH]2)c(C)c(CNCc2ncc[nH]2)c(C)c1CNCc1ncc[nH]1.
What is the InChIKey of 1-[3,5-bis[(1H-imidazol-2-ylmethylamino)methyl]-2,4,6-trimethylphenyl]-N-(1H-imidazol-2-ylmethyl)methanamine?
The InChIKey is OSWDGVZJRZDOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N9/c1-16-19(10-25-13-22-28-4-5-29-22)17(2)21(12-27-15-24-32-8-9-33-24)18(3)20(16)11-26-14-23-30-6-7-31-23/h4-9,25-27H,10-15H2,1-3H3,(H,28,29)(H,30,31)(H,32,33).
What are the key properties of 1-[3,5-bis[(1H-imidazol-2-ylmethylamino)methyl]-2,4,6-trimethylphenyl]-N-(1H-imidazol-2-ylmethyl)methanamine?
1-[3,5-bis[(1H-imidazol-2-ylmethylamino)methyl]-2,4,6-trimethylphenyl]-N-(1H-imidazol-2-ylmethyl)methanamine has a molecular weight of 447.59 g/mol, XLogP of 2.65, 12 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis[(1H-imidazol-2-ylmethylamino)methyl]-2,4,6-trimethylphenyl]-N-(1H-imidazol-2-ylmethyl)methanamine is sourced from PubChem (CID 72697709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).