3-(4,5-dimethylimidazol-1-yl)-2-(propan-2-ylamino)propanamide

C11H20N4O — CID 62349750

IUPAC3-(4,5-dimethylimidazol-1-yl)-2-(propan-2-ylamino)propanamide
SMILESCc1ncn(CC(NC(C)C)C(N)=O)c1C
InChIInChI=1S/C11H20N4O/c1-7(2)14-10(11(12)16)5-15-6-13-8(3)9(15)4/h6-7,10,14H,5H2,1-4H3,(H2,12,16)
InChIKeySPBYEUNLDRRFHA-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.35
Rot. Bonds5

About 3-(4,5-dimethylimidazol-1-yl)-2-(propan-2-ylamino)propanamide

3-(4,5-dimethylimidazol-1-yl)-2-(propan-2-ylamino)propanamide (PubChem CID 62349750) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-(4,5-dimethylimidazol-1-yl)-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name3-(4,5-dimethylimidazol-1-yl)-2-(propan-2-ylamino)propanamide
PubChem CID62349750
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-(4,5-dimethylimidazol-1-yl)-2-(propan-2-ylamino)propanamide
SMILESCc1ncn(CC(NC(C)C)C(N)=O)c1C
InChIInChI=1S/C11H20N4O/c1-7(2)14-10(11(12)16)5-15-6-13-8(3)9(15)4/h6-7,10,14H,5H2,1-4H3,(H2,12,16)
InChIKeySPBYEUNLDRRFHA-UHFFFAOYSA-N
XLogP0.35
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-(1-aminopropan-2-yl)-1H-purin-6-one
CID 163658451
(2S)-2-acetamido-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentanamide
CID 100066644
(2S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-methylazepane-2-carboxamide
CID 129609068
2-[5-(Aminomethyl)-4-methylimidazol-1-yl]-4,4,4-trifluorobutanamide
CID 21224533
2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53685528
5-amino-N-(1-fluoropropyl)-1-propan-2-ylimidazole-4-carboxamide
CID 146555962
5-Amino-1-[2-(diethylamino)ethyl]-1h-imidazole-4-carboxamide
CID 12520108
N-(1-(4,5-dicyano-1H-imidazol-1-yl)-1-oxopropan-2-yl)acetamide
CID 154585660
2-(4,5-dimethylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 115616733
2-(2-amino-4,5-dicyanoimidazol-1-yl)-N-butan-2-ylacetamide
CID 42947739
N-methyl-3-{methyl[(4-methyl-1H-imidazol-5-yl)methyl]amino}butanamide
CID 50954861
N,N-dimethyl-2-{methyl[(4-methyl-1H-imidazol-5-yl)methyl]amino}propanamide
CID 50982626

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethylimidazol-1-yl)-2-(propan-2-ylamino)propanamide?
The IUPAC name of 3-(4,5-dimethylimidazol-1-yl)-2-(propan-2-ylamino)propanamide (CID 62349750) is 3-(4,5-dimethylimidazol-1-yl)-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 3-(4,5-dimethylimidazol-1-yl)-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 3-(4,5-dimethylimidazol-1-yl)-2-(propan-2-ylamino)propanamide is Cc1ncn(CC(NC(C)C)C(N)=O)c1C.
What is the InChIKey of 3-(4,5-dimethylimidazol-1-yl)-2-(propan-2-ylamino)propanamide?
The InChIKey is SPBYEUNLDRRFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-7(2)14-10(11(12)16)5-15-6-13-8(3)9(15)4/h6-7,10,14H,5H2,1-4H3,(H2,12,16).
What are the key properties of 3-(4,5-dimethylimidazol-1-yl)-2-(propan-2-ylamino)propanamide?
3-(4,5-dimethylimidazol-1-yl)-2-(propan-2-ylamino)propanamide has a molecular weight of 224.31 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethylimidazol-1-yl)-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 62349750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).