N-(1H-imidazol-2-ylmethyl)-2-(prop-2-ynylamino)acetamide

C9H12N4O — CID 79272188

IUPACN-(1H-imidazol-2-ylmethyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCc1ncc[nH]1
InChIInChI=1S/C9H12N4O/c1-2-3-10-7-9(14)13-6-8-11-4-5-12-8/h1,4-5,10H,3,6-7H2,(H,11,12)(H,13,14)
InChIKeyXJLSRUOWUULVLK-UHFFFAOYSA-N
MW192.22 g/mol
LogP-0.75
Rot. Bonds5

About N-(1H-imidazol-2-ylmethyl)-2-(prop-2-ynylamino)acetamide

N-(1H-imidazol-2-ylmethyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 79272188) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2-(prop-2-ynylamino)acetamide
PubChem CID79272188
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCc1ncc[nH]1
InChIInChI=1S/C9H12N4O/c1-2-3-10-7-9(14)13-6-8-11-4-5-12-8/h1,4-5,10H,3,6-7H2,(H,11,12)(H,13,14)
InChIKeyXJLSRUOWUULVLK-UHFFFAOYSA-N
XLogP-0.75
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1H-imidazol-2-ylmethyl)-2-(prop-2-ynylamino)acetamide 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

2-(ethylamino)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64529772
2-acetamido-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64531448
N-(1H-imidazol-2-ylmethyl)-2-propan-2-yloxyacetamide
CID 112691042
5-(1H-imidazol-2-ylmethylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 64548154
2-(1H-imidazol-2-ylmethylamino)-2-oxoacetic acid
CID 64524937
2-(1,4-diazepan-1-yl)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64530362
2-(1H-imidazol-2-ylmethylamino)-1-pyrrolidin-1-ylethanone
CID 115608297
2-(4-aminophenyl)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64517782
propan-2-yl N-(1H-imidazol-2-ylmethyl)carbamate
CID 64530068
2-(azepan-1-yl)-N-(1H-imidazol-2-ylmethyl)propanamide
CID 71984266
N-(1H-imidazol-2-ylmethyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65241416
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64532408

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-(prop-2-ynylamino)acetamide (CID 79272188) is N-(1H-imidazol-2-ylmethyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)NCc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is XJLSRUOWUULVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-2-3-10-7-9(14)13-6-8-11-4-5-12-8/h1,4-5,10H,3,6-7H2,(H,11,12)(H,13,14).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2-(prop-2-ynylamino)acetamide?
N-(1H-imidazol-2-ylmethyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 192.22 g/mol, XLogP of -0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79272188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).