3-amino-N-(1H-imidazol-2-yl)-2-methylpropanamide

C7H12N4O — CID 63564488

IUPAC3-amino-N-(1H-imidazol-2-yl)-2-methylpropanamide
SMILESCC(CN)C(=O)Nc1ncc[nH]1
InChIInChI=1S/C7H12N4O/c1-5(4-8)6(12)11-7-9-2-3-10-7/h2-3,5H,4,8H2,1H3,(H2,9,10,11,12)
InChIKeyODIVJSBGUFMYPI-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.06
Rot. Bonds3

About 3-amino-N-(1H-imidazol-2-yl)-2-methylpropanamide

3-amino-N-(1H-imidazol-2-yl)-2-methylpropanamide (PubChem CID 63564488) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-amino-N-(1H-imidazol-2-yl)-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-(1H-imidazol-2-yl)-2-methylpropanamide
PubChem CID63564488
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name3-amino-N-(1H-imidazol-2-yl)-2-methylpropanamide
SMILESCC(CN)C(=O)Nc1ncc[nH]1
InChIInChI=1S/C7H12N4O/c1-5(4-8)6(12)11-7-9-2-3-10-7/h2-3,5H,4,8H2,1H3,(H2,9,10,11,12)
InChIKeyODIVJSBGUFMYPI-UHFFFAOYSA-N
XLogP-0.06
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(1H-imidazol-2-yl)-4-methylpentanamide
CID 63562983
N-(1H-imidazol-2-yl)-2-propylpentanamide
CID 115556416
3,3-difluoro-N-(1H-imidazol-2-yl)-2-methylbutanamide
CID 131084397
2-methylpropyl N-(1H-imidazol-2-yl)carbamate
CID 63565035
5-amino-N-(1H-imidazol-2-yl)hexanamide
CID 82852623
2-acetamido-N-(1H-imidazol-2-yl)-3-methylbutanamide
CID 60968491
1-(1H-imidazol-2-yl)-3-propan-2-ylurea
CID 63564076
3-amino-N-(1H-imidazol-2-yl)-2,2-dimethylpropanamide
CID 63564295
2-amino-2-cyclobutyl-N-(1H-imidazol-2-yl)acetamide
CID 130806434
2-ethyl-N-(1H-imidazol-2-yl)hexanamide
CID 63565385
3-amino-2,2-difluoro-N-(1H-imidazol-2-yl)propanamide
CID 130600861
N'-(1H-imidazol-2-yl)-2-(4-methylphenyl)propanediamide
CID 68971384

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1H-imidazol-2-yl)-2-methylpropanamide?
The IUPAC name of 3-amino-N-(1H-imidazol-2-yl)-2-methylpropanamide (CID 63564488) is 3-amino-N-(1H-imidazol-2-yl)-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-(1H-imidazol-2-yl)-2-methylpropanamide?
The canonical SMILES for 3-amino-N-(1H-imidazol-2-yl)-2-methylpropanamide is CC(CN)C(=O)Nc1ncc[nH]1.
What is the InChIKey of 3-amino-N-(1H-imidazol-2-yl)-2-methylpropanamide?
The InChIKey is ODIVJSBGUFMYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-5(4-8)6(12)11-7-9-2-3-10-7/h2-3,5H,4,8H2,1H3,(H2,9,10,11,12).
What are the key properties of 3-amino-N-(1H-imidazol-2-yl)-2-methylpropanamide?
3-amino-N-(1H-imidazol-2-yl)-2-methylpropanamide has a molecular weight of 168.20 g/mol, XLogP of -0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1H-imidazol-2-yl)-2-methylpropanamide is sourced from PubChem (CID 63564488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).