5-[1-(1-methylimidazol-2-yl)ethylamino]pentanamide

C11H20N4O — CID 106234642

IUPAC5-[1-(1-methylimidazol-2-yl)ethylamino]pentanamide
SMILESCC(NCCCCC(N)=O)c1nccn1C
InChIInChI=1S/C11H20N4O/c1-9(11-14-7-8-15(11)2)13-6-4-3-5-10(12)16/h7-9,13H,3-6H2,1-2H3,(H2,12,16)
InChIKeyMPDDPBSWLGDTPU-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.73
Rot. Bonds7

About 5-[1-(1-methylimidazol-2-yl)ethylamino]pentanamide

5-[1-(1-methylimidazol-2-yl)ethylamino]pentanamide (PubChem CID 106234642) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 5-[1-(1-methylimidazol-2-yl)ethylamino]pentanamide.

Molecular Properties

Compound Name5-[1-(1-methylimidazol-2-yl)ethylamino]pentanamide
PubChem CID106234642
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name5-[1-(1-methylimidazol-2-yl)ethylamino]pentanamide
SMILESCC(NCCCCC(N)=O)c1nccn1C
InChIInChI=1S/C11H20N4O/c1-9(11-14-7-8-15(11)2)13-6-4-3-5-10(12)16/h7-9,13H,3-6H2,1-2H3,(H2,12,16)
InChIKeyMPDDPBSWLGDTPU-UHFFFAOYSA-N
XLogP0.73
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[1-(1-methylimidazol-2-yl)ethylamino]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4,4-trifluoro-N-[1-(1-methylimidazol-2-yl)ethyl]butan-1-amine
CID 115516455
N-[1-(1-methylimidazol-2-yl)ethyl]pent-4-yn-1-amine
CID 103914331
N-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 103913887
tert-butyl N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate
CID 103913862
N-[1-(1-methylimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine
CID 115901512
2-methyl-1-[1-(1-methylimidazol-2-yl)ethylamino]propan-2-ol
CID 65104045
ethyl 3-[1-(1-methylimidazol-2-yl)ethylamino]-3-oxopropanoate
CID 110474175
N,N-dimethyl-2-[1-(1-methylimidazol-2-yl)ethylamino]ethanesulfonamide
CID 106335969
N-[1-(1-methylimidazol-2-yl)ethyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64548472
tert-butyl N-methyl-N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate
CID 103913871
2-methyl-3-[1-(1-methylimidazol-2-yl)ethylamino]propane-1,2-diol
CID 66169614
2,2-difluoro-3-[1-(1-methylimidazol-2-yl)ethylamino]propan-1-ol
CID 104860530

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-methylimidazol-2-yl)ethylamino]pentanamide?
The IUPAC name of 5-[1-(1-methylimidazol-2-yl)ethylamino]pentanamide (CID 106234642) is 5-[1-(1-methylimidazol-2-yl)ethylamino]pentanamide.
What is the SMILES notation for 5-[1-(1-methylimidazol-2-yl)ethylamino]pentanamide?
The canonical SMILES for 5-[1-(1-methylimidazol-2-yl)ethylamino]pentanamide is CC(NCCCCC(N)=O)c1nccn1C.
What is the InChIKey of 5-[1-(1-methylimidazol-2-yl)ethylamino]pentanamide?
The InChIKey is MPDDPBSWLGDTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9(11-14-7-8-15(11)2)13-6-4-3-5-10(12)16/h7-9,13H,3-6H2,1-2H3,(H2,12,16).
What are the key properties of 5-[1-(1-methylimidazol-2-yl)ethylamino]pentanamide?
5-[1-(1-methylimidazol-2-yl)ethylamino]pentanamide has a molecular weight of 224.31 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-methylimidazol-2-yl)ethylamino]pentanamide is sourced from PubChem (CID 106234642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).