N-(2-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride

C14H20Cl2N4O — CID 119844180

IUPACN-(2-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)Nc1ccccc1-n1ccnc1.Cl.Cl
InChIInChI=1S/C14H18N4O.2ClH/c1-11(9-15-2)14(19)17-12-5-3-4-6-13(12)18-8-7-16-10-18;;/h3-8,10-11,15H,9H2,1-2H3,(H,17,19);2*1H
InChIKeyNHBPKAZOZBLGJZ-UHFFFAOYSA-N
MW331.25 g/mol
LogP2.51
Rot. Bonds5

About N-(2-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride

N-(2-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride (PubChem CID 119844180) has the molecular formula C14H20Cl2N4O and a molecular weight of 331.25 g/mol. Its IUPAC name is N-(2-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride
PubChem CID119844180
Molecular FormulaC14H20Cl2N4O
Molecular Weight331.25 g/mol
Exact Mass330.10
IUPAC NameN-(2-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride
SMILESCNCC(C)C(=O)Nc1ccccc1-n1ccnc1.Cl.Cl
InChIInChI=1S/C14H18N4O.2ClH/c1-11(9-15-2)14(19)17-12-5-3-4-6-13(12)18-8-7-16-10-18;;/h3-8,10-11,15H,9H2,1-2H3,(H,17,19);2*1H
InChIKeyNHBPKAZOZBLGJZ-UHFFFAOYSA-N
XLogP2.51
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The IUPAC name of N-(2-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride (CID 119844180) is N-(2-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride.
What is the SMILES notation for N-(2-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The canonical SMILES for N-(2-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride is CNCC(C)C(=O)Nc1ccccc1-n1ccnc1.Cl.Cl.
What is the InChIKey of N-(2-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride?
The InChIKey is NHBPKAZOZBLGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.2ClH/c1-11(9-15-2)14(19)17-12-5-3-4-6-13(12)18-8-7-16-10-18;;/h3-8,10-11,15H,9H2,1-2H3,(H,17,19);2*1H.
What are the key properties of N-(2-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride?
N-(2-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride has a molecular weight of 331.25 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride is sourced from PubChem (CID 119844180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).