2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]-N-propylpropanamide

C13H24N4O — CID 66151132

IUPAC2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1cncc1CNC(C)C
InChIInChI=1S/C13H24N4O/c1-5-6-15-13(18)11(4)17-9-14-7-12(17)8-16-10(2)3/h7,9-11,16H,5-6,8H2,1-4H3,(H,15,18)
InChIKeyGIKALWHHZXGFIY-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.47
Rot. Bonds7

About 2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]-N-propylpropanamide

2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]-N-propylpropanamide (PubChem CID 66151132) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]-N-propylpropanamide.

Molecular Properties

Compound Name2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]-N-propylpropanamide
PubChem CID66151132
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)C(C)n1cncc1CNC(C)C
InChIInChI=1S/C13H24N4O/c1-5-6-15-13(18)11(4)17-9-14-7-12(17)8-16-10(2)3/h7,9-11,16H,5-6,8H2,1-4H3,(H,15,18)
InChIKeyGIKALWHHZXGFIY-UHFFFAOYSA-N
XLogP1.47
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide
CID 66146748
2-(5-formylimidazol-1-yl)-N-propylpropanamide
CID 66147212
N-[(3-hexan-2-ylimidazol-4-yl)methyl]propan-2-amine
CID 66149295
N-tert-butyl-2-[5-(methylaminomethyl)imidazol-1-yl]propanamide
CID 113408188
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
N-[[3-(4,4,4-trifluorobutan-2-yl)imidazol-4-yl]methyl]propan-2-amine
CID 114129927
2-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]-N-propylpropanamide
CID 114719612
N,N-dimethyl-3-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butan-1-amine
CID 66149674
N-[(3-pentan-2-ylimidazol-4-yl)methyl]propan-1-amine
CID 66147531
tert-butyl N-[(3-butan-2-ylimidazol-4-yl)methyl]carbamate
CID 114703505
ethyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazol-1-yl]propanoate
CID 104952130
4-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butanamide
CID 66146111

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]-N-propylpropanamide?
The IUPAC name of 2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]-N-propylpropanamide (CID 66151132) is 2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]-N-propylpropanamide.
What is the SMILES notation for 2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]-N-propylpropanamide?
The canonical SMILES for 2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]-N-propylpropanamide is CCCNC(=O)C(C)n1cncc1CNC(C)C.
What is the InChIKey of 2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]-N-propylpropanamide?
The InChIKey is GIKALWHHZXGFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-6-15-13(18)11(4)17-9-14-7-12(17)8-16-10(2)3/h7,9-11,16H,5-6,8H2,1-4H3,(H,15,18).
What are the key properties of 2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]-N-propylpropanamide?
2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]-N-propylpropanamide has a molecular weight of 252.36 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]-N-propylpropanamide is sourced from PubChem (CID 66151132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).