N-[1-(1-methylimidazol-2-yl)ethyl]-3-[(1-methyl-5-pyrimidin-4-ylimidazol-2-yl)methylamino]benzamide

C22H24N8O — CID 166874738

IUPACN-[1-(1-methylimidazol-2-yl)ethyl]-3-[(1-methyl-5-pyrimidin-4-ylimidazol-2-yl)methylamino]benzamide
SMILESCC(NC(=O)c1cccc(NCc2ncc(-c3ccncn3)n2C)c1)c1nccn1C
InChIInChI=1S/C22H24N8O/c1-15(21-24-9-10-29(21)2)28-22(31)16-5-4-6-17(11-16)25-13-20-26-12-19(30(20)3)18-7-8-23-14-27-18/h4-12,14-15,25H,13H2,1-3H3,(H,28,31)
InChIKeyGUVYPDYTILAHSV-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.71
Rot. Bonds7

About N-[1-(1-methylimidazol-2-yl)ethyl]-3-[(1-methyl-5-pyrimidin-4-ylimidazol-2-yl)methylamino]benzamide

N-[1-(1-methylimidazol-2-yl)ethyl]-3-[(1-methyl-5-pyrimidin-4-ylimidazol-2-yl)methylamino]benzamide (PubChem CID 166874738) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[1-(1-methylimidazol-2-yl)ethyl]-3-[(1-methyl-5-pyrimidin-4-ylimidazol-2-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-[1-(1-methylimidazol-2-yl)ethyl]-3-[(1-methyl-5-pyrimidin-4-ylimidazol-2-yl)methylamino]benzamide
PubChem CID166874738
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC NameN-[1-(1-methylimidazol-2-yl)ethyl]-3-[(1-methyl-5-pyrimidin-4-ylimidazol-2-yl)methylamino]benzamide
SMILESCC(NC(=O)c1cccc(NCc2ncc(-c3ccncn3)n2C)c1)c1nccn1C
InChIInChI=1S/C22H24N8O/c1-15(21-24-9-10-29(21)2)28-22(31)16-5-4-6-17(11-16)25-13-20-26-12-19(30(20)3)18-7-8-23-14-27-18/h4-12,14-15,25H,13H2,1-3H3,(H,28,31)
InChIKeyGUVYPDYTILAHSV-UHFFFAOYSA-N
XLogP2.71
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[1-(1-methylimidazol-2-yl)ethyl]-3-[(1-methyl-5-pyrimidin-4-ylimidazol-2-yl)methylamino]benzamide with MolForge

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Related Compounds

3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-[(1S)-1-pyrazin-2-ylethyl]benzamide
CID 166579002
3-[(1R)-1-[[3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzoyl]amino]ethyl]benzoic acid
CID 164592503
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[(4-propyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 167305038
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 166579347
3-amino-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide
CID 110474410
3-(dimethylamino)-N-[1-(1-methylimidazol-2-yl)ethyl]benzamide
CID 110473260
N-[(2-methylpyrazol-3-yl)-phenylmethyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 166579252
N-[(3-ethyl-4-pyridinyl)methyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 162366260
3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 166579215
N-[2-(1-methylpyrazol-4-yl)propan-2-yl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 162366110
N-(imidazo[1,2-a]pyridin-6-ylmethyl)-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 162366229
N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 166579401

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylimidazol-2-yl)ethyl]-3-[(1-methyl-5-pyrimidin-4-ylimidazol-2-yl)methylamino]benzamide?
The IUPAC name of N-[1-(1-methylimidazol-2-yl)ethyl]-3-[(1-methyl-5-pyrimidin-4-ylimidazol-2-yl)methylamino]benzamide (CID 166874738) is N-[1-(1-methylimidazol-2-yl)ethyl]-3-[(1-methyl-5-pyrimidin-4-ylimidazol-2-yl)methylamino]benzamide.
What is the SMILES notation for N-[1-(1-methylimidazol-2-yl)ethyl]-3-[(1-methyl-5-pyrimidin-4-ylimidazol-2-yl)methylamino]benzamide?
The canonical SMILES for N-[1-(1-methylimidazol-2-yl)ethyl]-3-[(1-methyl-5-pyrimidin-4-ylimidazol-2-yl)methylamino]benzamide is CC(NC(=O)c1cccc(NCc2ncc(-c3ccncn3)n2C)c1)c1nccn1C.
What is the InChIKey of N-[1-(1-methylimidazol-2-yl)ethyl]-3-[(1-methyl-5-pyrimidin-4-ylimidazol-2-yl)methylamino]benzamide?
The InChIKey is GUVYPDYTILAHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O/c1-15(21-24-9-10-29(21)2)28-22(31)16-5-4-6-17(11-16)25-13-20-26-12-19(30(20)3)18-7-8-23-14-27-18/h4-12,14-15,25H,13H2,1-3H3,(H,28,31).
What are the key properties of N-[1-(1-methylimidazol-2-yl)ethyl]-3-[(1-methyl-5-pyrimidin-4-ylimidazol-2-yl)methylamino]benzamide?
N-[1-(1-methylimidazol-2-yl)ethyl]-3-[(1-methyl-5-pyrimidin-4-ylimidazol-2-yl)methylamino]benzamide has a molecular weight of 416.49 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylimidazol-2-yl)ethyl]-3-[(1-methyl-5-pyrimidin-4-ylimidazol-2-yl)methylamino]benzamide is sourced from PubChem (CID 166874738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).