2-acetamido-N-(1H-imidazol-2-ylmethyl)acetamide

C8H12N4O2 — CID 64531448

IUPAC2-acetamido-N-(1H-imidazol-2-ylmethyl)acetamide
SMILESCC(=O)NCC(=O)NCc1ncc[nH]1
InChIInChI=1S/C8H12N4O2/c1-6(13)11-5-8(14)12-4-7-9-2-3-10-7/h2-3H,4-5H2,1H3,(H,9,10)(H,11,13)(H,12,14)
InChIKeyQSRPJRSUDBRZKM-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.84
Rot. Bonds4

About 2-acetamido-N-(1H-imidazol-2-ylmethyl)acetamide

2-acetamido-N-(1H-imidazol-2-ylmethyl)acetamide (PubChem CID 64531448) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-acetamido-N-(1H-imidazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-acetamido-N-(1H-imidazol-2-ylmethyl)acetamide
PubChem CID64531448
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name2-acetamido-N-(1H-imidazol-2-ylmethyl)acetamide
SMILESCC(=O)NCC(=O)NCc1ncc[nH]1
InChIInChI=1S/C8H12N4O2/c1-6(13)11-5-8(14)12-4-7-9-2-3-10-7/h2-3H,4-5H2,1H3,(H,9,10)(H,11,13)(H,12,14)
InChIKeyQSRPJRSUDBRZKM-UHFFFAOYSA-N
XLogP-0.84
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64529772
N-(1H-imidazol-2-ylmethyl)-2-(prop-2-ynylamino)acetamide
CID 79272188
N-(1H-imidazol-2-ylmethyl)-2-propan-2-yloxyacetamide
CID 112691042
2-[2-(aminomethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)acetamide
CID 81321885
5-(1H-imidazol-2-ylmethylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 64548154
2-(1H-imidazol-2-ylmethylamino)-2-oxoacetic acid
CID 64524937
2-(4-aminophenyl)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64517782
propan-2-yl N-(1H-imidazol-2-ylmethyl)carbamate
CID 64530068
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
N-(1H-imidazol-2-ylmethyl)-2-pyridin-2-ylacetamide
CID 64529840
N-(1H-imidazol-2-ylmethyl)-2-(1H-pyrazol-5-yl)acetamide
CID 79139019

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(1H-imidazol-2-ylmethyl)acetamide?
The IUPAC name of 2-acetamido-N-(1H-imidazol-2-ylmethyl)acetamide (CID 64531448) is 2-acetamido-N-(1H-imidazol-2-ylmethyl)acetamide.
What is the SMILES notation for 2-acetamido-N-(1H-imidazol-2-ylmethyl)acetamide?
The canonical SMILES for 2-acetamido-N-(1H-imidazol-2-ylmethyl)acetamide is CC(=O)NCC(=O)NCc1ncc[nH]1.
What is the InChIKey of 2-acetamido-N-(1H-imidazol-2-ylmethyl)acetamide?
The InChIKey is QSRPJRSUDBRZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-6(13)11-5-8(14)12-4-7-9-2-3-10-7/h2-3H,4-5H2,1H3,(H,9,10)(H,11,13)(H,12,14).
What are the key properties of 2-acetamido-N-(1H-imidazol-2-ylmethyl)acetamide?
2-acetamido-N-(1H-imidazol-2-ylmethyl)acetamide has a molecular weight of 196.21 g/mol, XLogP of -0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(1H-imidazol-2-ylmethyl)acetamide is sourced from PubChem (CID 64531448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).