2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-ethylacetamide

C9H15ClN4O — CID 43401730

IUPAC2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-ethylacetamide
SMILESCCNC(=O)CNCc1ncc(Cl)n1C
InChIInChI=1S/C9H15ClN4O/c1-3-12-9(15)6-11-5-8-13-4-7(10)14(8)2/h4,11H,3,5-6H2,1-2H3,(H,12,15)
InChIKeyWKOGPFLPGIGNSL-UHFFFAOYSA-N
MW230.70 g/mol
LogP0.30
Rot. Bonds5

About 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-ethylacetamide

2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-ethylacetamide (PubChem CID 43401730) has the molecular formula C9H15ClN4O and a molecular weight of 230.70 g/mol. Its IUPAC name is 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-ethylacetamide
PubChem CID43401730
Molecular FormulaC9H15ClN4O
Molecular Weight230.70 g/mol
Exact Mass230.09
IUPAC Name2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-ethylacetamide
SMILESCCNC(=O)CNCc1ncc(Cl)n1C
InChIInChI=1S/C9H15ClN4O/c1-3-12-9(15)6-11-5-8-13-4-7(10)14(8)2/h4,11H,3,5-6H2,1-2H3,(H,12,15)
InChIKeyWKOGPFLPGIGNSL-UHFFFAOYSA-N
XLogP0.30
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-ethylacetamide 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

N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methylpropanamide
CID 130815542
N-[(5-chloro-1-methylimidazol-2-yl)methyl]butan-1-amine
CID 43088016
N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62222511
1-[(5-chloro-1-methylimidazol-2-yl)methylamino]-3-ethylpentan-2-ol
CID 114168345
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-4-ethylbenzamide
CID 51134395
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-ethoxyethanamine
CID 43591015
1-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpentan-2-ol
CID 106292432
3-[(5-chloro-1-methylimidazol-2-yl)methylamino]-2-methylpropane-1,2-diol
CID 66186015
N-[(5-chloro-1-methylimidazol-2-yl)methyl]pentan-3-amine
CID 43088151
1-(5-chloro-1-methylimidazol-2-yl)-N-ethoxymethanamine
CID 60702467
5-[(5-chloro-1-methylimidazol-2-yl)methylamino]pentan-2-ol
CID 106130407
N-ethyl-2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]acetamide
CID 106370872

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-ethylacetamide (CID 43401730) is 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-ethylacetamide is CCNC(=O)CNCc1ncc(Cl)n1C.
What is the InChIKey of 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-ethylacetamide?
The InChIKey is WKOGPFLPGIGNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O/c1-3-12-9(15)6-11-5-8-13-4-7(10)14(8)2/h4,11H,3,5-6H2,1-2H3,(H,12,15).
What are the key properties of 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-ethylacetamide?
2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-ethylacetamide has a molecular weight of 230.70 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1-methylimidazol-2-yl)methylamino]-N-ethylacetamide is sourced from PubChem (CID 43401730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).