N-(2-amino-2-phenylethyl)-3-imidazol-1-ylpropanamide;dihydrochloride

C14H20Cl2N4O — CID 119527702

IUPACN-(2-amino-2-phenylethyl)-3-imidazol-1-ylpropanamide;dihydrochloride
SMILESCl.Cl.NC(CNC(=O)CCn1ccnc1)c1ccccc1
InChIInChI=1S/C14H18N4O.2ClH/c15-13(12-4-2-1-3-5-12)10-17-14(19)6-8-18-9-7-16-11-18;;/h1-5,7,9,11,13H,6,8,10,15H2,(H,17,19);2*1H
InChIKeyMMLVDIOPVKMLLE-UHFFFAOYSA-N
MW331.25 g/mol
LogP1.93
Rot. Bonds6

About N-(2-amino-2-phenylethyl)-3-imidazol-1-ylpropanamide;dihydrochloride

N-(2-amino-2-phenylethyl)-3-imidazol-1-ylpropanamide;dihydrochloride (PubChem CID 119527702) has the molecular formula C14H20Cl2N4O and a molecular weight of 331.25 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-3-imidazol-1-ylpropanamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-3-imidazol-1-ylpropanamide;dihydrochloride
PubChem CID119527702
Molecular FormulaC14H20Cl2N4O
Molecular Weight331.25 g/mol
Exact Mass330.10
IUPAC NameN-(2-amino-2-phenylethyl)-3-imidazol-1-ylpropanamide;dihydrochloride
SMILESCl.Cl.NC(CNC(=O)CCn1ccnc1)c1ccccc1
InChIInChI=1S/C14H18N4O.2ClH/c15-13(12-4-2-1-3-5-12)10-17-14(19)6-8-18-9-7-16-11-18;;/h1-5,7,9,11,13H,6,8,10,15H2,(H,17,19);2*1H
InChIKeyMMLVDIOPVKMLLE-UHFFFAOYSA-N
XLogP1.93
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-aminopropyl)-3-imidazol-1-ylpropanamide
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3-amino-N-(3-imidazol-1-yl-2-methylpropyl)-3-phenylpropanamide
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CID 5195236
N-(2-amino-2-phenylethyl)pentanamide
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N-(2-amino-2-phenylethyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 119527517
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-imidazol-1-ylpropanamide
CID 102673648
N-(2-amino-2-phenylethyl)-3-(2-oxo-3,4-dihydroquinolin-1-yl)propanamide
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N-(2-amino-2-phenylethyl)-4,4-dimethylpentanamide
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CID 55225513

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-3-imidazol-1-ylpropanamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-phenylethyl)-3-imidazol-1-ylpropanamide;dihydrochloride (CID 119527702) is N-(2-amino-2-phenylethyl)-3-imidazol-1-ylpropanamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-3-imidazol-1-ylpropanamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-phenylethyl)-3-imidazol-1-ylpropanamide;dihydrochloride is Cl.Cl.NC(CNC(=O)CCn1ccnc1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-3-imidazol-1-ylpropanamide;dihydrochloride?
The InChIKey is MMLVDIOPVKMLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.2ClH/c15-13(12-4-2-1-3-5-12)10-17-14(19)6-8-18-9-7-16-11-18;;/h1-5,7,9,11,13H,6,8,10,15H2,(H,17,19);2*1H.
What are the key properties of N-(2-amino-2-phenylethyl)-3-imidazol-1-ylpropanamide;dihydrochloride?
N-(2-amino-2-phenylethyl)-3-imidazol-1-ylpropanamide;dihydrochloride has a molecular weight of 331.25 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-3-imidazol-1-ylpropanamide;dihydrochloride is sourced from PubChem (CID 119527702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).