2-amino-2-(chloromethyl)-N,N-dimethyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propanamide

C13H23ClN4O — CID 57127724

IUPAC2-amino-2-(chloromethyl)-N,N-dimethyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propanamide
SMILESCC(C)Cc1cnc(CC(N)(CCl)C(=O)N(C)C)[nH]1
InChIInChI=1S/C13H23ClN4O/c1-9(2)5-10-7-16-11(17-10)6-13(15,8-14)12(19)18(3)4/h7,9H,5-6,8,15H2,1-4H3,(H,16,17)
InChIKeySSAGBMGZRHKKAI-UHFFFAOYSA-N
MW286.81 g/mol
LogP1.18
Rot. Bonds6

About 2-amino-2-(chloromethyl)-N,N-dimethyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propanamide

2-amino-2-(chloromethyl)-N,N-dimethyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propanamide (PubChem CID 57127724) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is 2-amino-2-(chloromethyl)-N,N-dimethyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propanamide.

Molecular Properties

Compound Name2-amino-2-(chloromethyl)-N,N-dimethyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propanamide
PubChem CID57127724
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC Name2-amino-2-(chloromethyl)-N,N-dimethyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propanamide
SMILESCC(C)Cc1cnc(CC(N)(CCl)C(=O)N(C)C)[nH]1
InChIInChI=1S/C13H23ClN4O/c1-9(2)5-10-7-16-11(17-10)6-13(15,8-14)12(19)18(3)4/h7,9H,5-6,8,15H2,1-4H3,(H,16,17)
InChIKeySSAGBMGZRHKKAI-UHFFFAOYSA-N
XLogP1.18
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(chloromethyl)-N,N-dimethyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propanamide?
The IUPAC name of 2-amino-2-(chloromethyl)-N,N-dimethyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propanamide (CID 57127724) is 2-amino-2-(chloromethyl)-N,N-dimethyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propanamide.
What is the SMILES notation for 2-amino-2-(chloromethyl)-N,N-dimethyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propanamide?
The canonical SMILES for 2-amino-2-(chloromethyl)-N,N-dimethyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propanamide is CC(C)Cc1cnc(CC(N)(CCl)C(=O)N(C)C)[nH]1.
What is the InChIKey of 2-amino-2-(chloromethyl)-N,N-dimethyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propanamide?
The InChIKey is SSAGBMGZRHKKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4O/c1-9(2)5-10-7-16-11(17-10)6-13(15,8-14)12(19)18(3)4/h7,9H,5-6,8,15H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-2-(chloromethyl)-N,N-dimethyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propanamide?
2-amino-2-(chloromethyl)-N,N-dimethyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propanamide has a molecular weight of 286.81 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(chloromethyl)-N,N-dimethyl-3-[5-(2-methylpropyl)-1H-imidazol-2-yl]propanamide is sourced from PubChem (CID 57127724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).