N-(2-aminoethyl)-2-(4,5-dihydro-1H-imidazol-2-yl)acetamide

C7H14N4O — CID 45120810

IUPACN-(2-aminoethyl)-2-(4,5-dihydro-1H-imidazol-2-yl)acetamide
SMILESNCCNC(=O)CC1=NCCN1
InChIInChI=1S/C7H14N4O/c8-1-2-11-7(12)5-6-9-3-4-10-6/h1-5,8H2,(H,9,10)(H,11,12)
InChIKeyXEFSMGYCKVIBIN-UHFFFAOYSA-N
MW170.22 g/mol
LogP-1.55
Rot. Bonds4

About N-(2-aminoethyl)-2-(4,5-dihydro-1H-imidazol-2-yl)acetamide

N-(2-aminoethyl)-2-(4,5-dihydro-1H-imidazol-2-yl)acetamide (PubChem CID 45120810) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(4,5-dihydro-1H-imidazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(4,5-dihydro-1H-imidazol-2-yl)acetamide
PubChem CID45120810
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC NameN-(2-aminoethyl)-2-(4,5-dihydro-1H-imidazol-2-yl)acetamide
SMILESNCCNC(=O)CC1=NCCN1
InChIInChI=1S/C7H14N4O/c8-1-2-11-7(12)5-6-9-3-4-10-6/h1-5,8H2,(H,9,10)(H,11,12)
InChIKeyXEFSMGYCKVIBIN-UHFFFAOYSA-N
XLogP-1.55
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-aminoethyl)-2-(4,5-dihydro-1H-imidazol-2-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(4,5-dihydro-1H-imidazol-2-yl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(4,5-dihydro-1H-imidazol-2-yl)acetamide (CID 45120810) is N-(2-aminoethyl)-2-(4,5-dihydro-1H-imidazol-2-yl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(4,5-dihydro-1H-imidazol-2-yl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(4,5-dihydro-1H-imidazol-2-yl)acetamide is NCCNC(=O)CC1=NCCN1.
What is the InChIKey of N-(2-aminoethyl)-2-(4,5-dihydro-1H-imidazol-2-yl)acetamide?
The InChIKey is XEFSMGYCKVIBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c8-1-2-11-7(12)5-6-9-3-4-10-6/h1-5,8H2,(H,9,10)(H,11,12).
What are the key properties of N-(2-aminoethyl)-2-(4,5-dihydro-1H-imidazol-2-yl)acetamide?
N-(2-aminoethyl)-2-(4,5-dihydro-1H-imidazol-2-yl)acetamide has a molecular weight of 170.22 g/mol, XLogP of -1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(4,5-dihydro-1H-imidazol-2-yl)acetamide is sourced from PubChem (CID 45120810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).