2-amino-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride

C17H26Cl2N4O — CID 119898590

IUPAC2-amino-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride
SMILESCC(C)(N)C(=O)NCc1nccn1CCCc1ccccc1.Cl.Cl
InChIInChI=1S/C17H24N4O.2ClH/c1-17(2,18)16(22)20-13-15-19-10-12-21(15)11-6-9-14-7-4-3-5-8-14;;/h3-5,7-8,10,12H,6,9,11,13,18H2,1-2H3,(H,20,22);2*1H
InChIKeyVIOVOWFJDDOFQN-UHFFFAOYSA-N
MW373.33 g/mol
LogP2.71
Rot. Bonds7

About 2-amino-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride

2-amino-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride (PubChem CID 119898590) has the molecular formula C17H26Cl2N4O and a molecular weight of 373.33 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride
PubChem CID119898590
Molecular FormulaC17H26Cl2N4O
Molecular Weight373.33 g/mol
Exact Mass372.15
IUPAC Name2-amino-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride
SMILESCC(C)(N)C(=O)NCc1nccn1CCCc1ccccc1.Cl.Cl
InChIInChI=1S/C17H24N4O.2ClH/c1-17(2,18)16(22)20-13-15-19-10-12-21(15)11-6-9-14-7-4-3-5-8-14;;/h3-5,7-8,10,12H,6,9,11,13,18H2,1-2H3,(H,20,22);2*1H
InChIKeyVIOVOWFJDDOFQN-UHFFFAOYSA-N
XLogP2.71
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propan-2-amine
CID 62221649
4-amino-3-methoxy-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]butanamide;dihydrochloride
CID 120597418
3-(2-aminophenyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride
CID 120613454
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-1-carboxamide
CID 71975541
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 71975235
1-(2-hydroxyethoxy)-3-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]urea
CID 154766739
2-(2-aminoethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120647670
1-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 71923566
3,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 71975236
4-amino-3-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]butanamide;dihydrochloride
CID 120597422
(2R)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide
CID 96570710
5,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxamide
CID 166354903

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride?
The IUPAC name of 2-amino-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride (CID 119898590) is 2-amino-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride?
The canonical SMILES for 2-amino-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride is CC(C)(N)C(=O)NCc1nccn1CCCc1ccccc1.Cl.Cl.
What is the InChIKey of 2-amino-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride?
The InChIKey is VIOVOWFJDDOFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.2ClH/c1-17(2,18)16(22)20-13-15-19-10-12-21(15)11-6-9-14-7-4-3-5-8-14;;/h3-5,7-8,10,12H,6,9,11,13,18H2,1-2H3,(H,20,22);2*1H.
What are the key properties of 2-amino-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride?
2-amino-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride has a molecular weight of 373.33 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]propanamide;dihydrochloride is sourced from PubChem (CID 119898590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).