2-amino-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylpropanamide;dihydrochloride

C15H22Cl2N4O — CID 120595679

IUPAC2-amino-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylpropanamide;dihydrochloride
SMILESCC(Cn1ccnc1)NC(=O)C(C)(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C15H20N4O.2ClH/c1-12(10-19-9-8-17-11-19)18-14(20)15(2,16)13-6-4-3-5-7-13;;/h3-9,11-12H,10,16H2,1-2H3,(H,18,20);2*1H
InChIKeyBSRVFZFBRLFHEP-UHFFFAOYSA-N
MW345.27 g/mol
LogP2.11
Rot. Bonds5

About 2-amino-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylpropanamide;dihydrochloride

2-amino-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylpropanamide;dihydrochloride (PubChem CID 120595679) has the molecular formula C15H22Cl2N4O and a molecular weight of 345.27 g/mol. Its IUPAC name is 2-amino-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylpropanamide;dihydrochloride
PubChem CID120595679
Molecular FormulaC15H22Cl2N4O
Molecular Weight345.27 g/mol
Exact Mass344.12
IUPAC Name2-amino-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylpropanamide;dihydrochloride
SMILESCC(Cn1ccnc1)NC(=O)C(C)(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C15H20N4O.2ClH/c1-12(10-19-9-8-17-11-19)18-14(20)15(2,16)13-6-4-3-5-7-13;;/h3-9,11-12H,10,16H2,1-2H3,(H,18,20);2*1H
InChIKeyBSRVFZFBRLFHEP-UHFFFAOYSA-N
XLogP2.11
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 52.11
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 2-amino-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylpropanamide;dihydrochloride (CID 120595679) is 2-amino-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylpropanamide;dihydrochloride is CC(Cn1ccnc1)NC(=O)C(C)(N)c1ccccc1.Cl.Cl.
What is the InChIKey of 2-amino-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylpropanamide;dihydrochloride?
The InChIKey is BSRVFZFBRLFHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.2ClH/c1-12(10-19-9-8-17-11-19)18-14(20)15(2,16)13-6-4-3-5-7-13;;/h3-9,11-12H,10,16H2,1-2H3,(H,18,20);2*1H.
What are the key properties of 2-amino-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylpropanamide;dihydrochloride?
2-amino-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylpropanamide;dihydrochloride has a molecular weight of 345.27 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 120595679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).