N-[2-[(1-methylimidazol-2-yl)amino]ethyl]acetamide

C8H14N4O — CID 62133096

IUPACN-[2-[(1-methylimidazol-2-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nccn1C
InChIInChI=1S/C8H14N4O/c1-7(13)9-3-4-10-8-11-5-6-12(8)2/h5-6H,3-4H2,1-2H3,(H,9,13)(H,10,11)
InChIKeyQMKBRQKMNKWBEF-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.03
Rot. Bonds4

About N-[2-[(1-methylimidazol-2-yl)amino]ethyl]acetamide

N-[2-[(1-methylimidazol-2-yl)amino]ethyl]acetamide (PubChem CID 62133096) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is N-[2-[(1-methylimidazol-2-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(1-methylimidazol-2-yl)amino]ethyl]acetamide
PubChem CID62133096
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC NameN-[2-[(1-methylimidazol-2-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nccn1C
InChIInChI=1S/C8H14N4O/c1-7(13)9-3-4-10-8-11-5-6-12(8)2/h5-6H,3-4H2,1-2H3,(H,9,13)(H,10,11)
InChIKeyQMKBRQKMNKWBEF-UHFFFAOYSA-N
XLogP-0.03
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-[(1-methylimidazol-2-yl)amino]butanoic acid
CID 80539688
N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]acetamide
CID 55155069
2-[(1-methylimidazol-2-yl)amino]-N-propan-2-ylacetamide
CID 62133098
N-[2-(2-methoxyethoxy)ethyl]-1-methylimidazol-2-amine
CID 62133824
2-methyl-1-[(1-methylimidazol-2-yl)amino]propan-2-ol
CID 65108978
N-[2-[[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]carbamoylamino]ethyl]acetamide
CID 125448282
N-cyclopropyl-2-[(1-methylimidazol-2-yl)amino]acetamide
CID 62133099
1-[2-[(1-methylimidazol-2-yl)amino]ethyl]cyclobutan-1-ol
CID 131196729
2-[(1-methylimidazol-2-yl)amino]butanoic acid
CID 62132542
1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]imidazol-2-amine
CID 106430806
N-(3-imidazol-1-ylpropyl)-1-methylimidazol-2-amine
CID 62132911
N-cyclopropyl-N'-(1-methylimidazol-2-yl)propane-1,3-diamine
CID 62132212

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-methylimidazol-2-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(1-methylimidazol-2-yl)amino]ethyl]acetamide (CID 62133096) is N-[2-[(1-methylimidazol-2-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(1-methylimidazol-2-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(1-methylimidazol-2-yl)amino]ethyl]acetamide is CC(=O)NCCNc1nccn1C.
What is the InChIKey of N-[2-[(1-methylimidazol-2-yl)amino]ethyl]acetamide?
The InChIKey is QMKBRQKMNKWBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-7(13)9-3-4-10-8-11-5-6-12(8)2/h5-6H,3-4H2,1-2H3,(H,9,13)(H,10,11).
What are the key properties of N-[2-[(1-methylimidazol-2-yl)amino]ethyl]acetamide?
N-[2-[(1-methylimidazol-2-yl)amino]ethyl]acetamide has a molecular weight of 182.23 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-methylimidazol-2-yl)amino]ethyl]acetamide is sourced from PubChem (CID 62133096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).