2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-propylacetamide

C12H20N4O — CID 62221110

IUPAC2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1ccnc1CNC1CC1
InChIInChI=1S/C12H20N4O/c1-2-5-14-12(17)9-16-7-6-13-11(16)8-15-10-3-4-10/h6-7,10,15H,2-5,8-9H2,1H3,(H,14,17)
InChIKeyMVQBWESEJMERDJ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.66
Rot. Bonds7

About 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-propylacetamide

2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-propylacetamide (PubChem CID 62221110) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-propylacetamide
PubChem CID62221110
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1ccnc1CNC1CC1
InChIInChI=1S/C12H20N4O/c1-2-5-14-12(17)9-16-7-6-13-11(16)8-15-10-3-4-10/h6-7,10,15H,2-5,8-9H2,1H3,(H,14,17)
InChIKeyMVQBWESEJMERDJ-UHFFFAOYSA-N
XLogP0.66
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-propylacetamide?
The IUPAC name of 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-propylacetamide (CID 62221110) is 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-propylacetamide is CCCNC(=O)Cn1ccnc1CNC1CC1.
What is the InChIKey of 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-propylacetamide?
The InChIKey is MVQBWESEJMERDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-5-14-12(17)9-16-7-6-13-11(16)8-15-10-3-4-10/h6-7,10,15H,2-5,8-9H2,1H3,(H,14,17).
What are the key properties of 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-propylacetamide?
2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-propylacetamide has a molecular weight of 236.32 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-propylacetamide is sourced from PubChem (CID 62221110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).