3-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propanamide

C7H14N4O — CID 105434539

IUPAC3-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propanamide
SMILESCN1CCN=C1NCCC(N)=O
InChIInChI=1S/C7H14N4O/c1-11-5-4-10-7(11)9-3-2-6(8)12/h2-5H2,1H3,(H2,8,12)(H,9,10)
InChIKeyYPYRUKKJAQXVBN-UHFFFAOYSA-N
MW170.22 g/mol
LogP-1.25
Rot. Bonds3

About 3-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propanamide

3-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propanamide (PubChem CID 105434539) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 3-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propanamide
PubChem CID105434539
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name3-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propanamide
SMILESCN1CCN=C1NCCC(N)=O
InChIInChI=1S/C7H14N4O/c1-11-5-4-10-7(11)9-3-2-6(8)12/h2-5H2,1H3,(H2,8,12)(H,9,10)
InChIKeyYPYRUKKJAQXVBN-UHFFFAOYSA-N
XLogP-1.25
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propanamide?
The IUPAC name of 3-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propanamide (CID 105434539) is 3-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propanamide.
What is the SMILES notation for 3-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propanamide?
The canonical SMILES for 3-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propanamide is CN1CCN=C1NCCC(N)=O.
What is the InChIKey of 3-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propanamide?
The InChIKey is YPYRUKKJAQXVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-11-5-4-10-7(11)9-3-2-6(8)12/h2-5H2,1H3,(H2,8,12)(H,9,10).
What are the key properties of 3-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propanamide?
3-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propanamide has a molecular weight of 170.22 g/mol, XLogP of -1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propanamide is sourced from PubChem (CID 105434539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).