4-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butanamide

C11H20N4O — CID 66146111

IUPAC4-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butanamide
SMILESCC(C)NCc1cncn1CCCC(N)=O
InChIInChI=1S/C11H20N4O/c1-9(2)14-7-10-6-13-8-15(10)5-3-4-11(12)16/h6,8-9,14H,3-5,7H2,1-2H3,(H2,12,16)
InChIKeyGNZGHRUYQMSASL-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.65
Rot. Bonds7

About 4-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butanamide

4-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butanamide (PubChem CID 66146111) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butanamide.

Molecular Properties

Compound Name4-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butanamide
PubChem CID66146111
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butanamide
SMILESCC(C)NCc1cncn1CCCC(N)=O
InChIInChI=1S/C11H20N4O/c1-9(2)14-7-10-6-13-8-15(10)5-3-4-11(12)16/h6,8-9,14H,3-5,7H2,1-2H3,(H2,12,16)
InChIKeyGNZGHRUYQMSASL-UHFFFAOYSA-N
XLogP0.65
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]propan-2-amine
CID 66146724
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
N-[[3-(2-piperidin-1-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66152169
N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]propan-2-amine
CID 114541560
N-[[3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 80686896
N-[[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 106106680
5-[(3-ethylimidazol-4-yl)methylamino]pentanamide
CID 106233413
methyl (2S)-3-methyl-2-[(3-propylimidazol-4-yl)methylamino]butanoate
CID 66130342
N-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 66146288
N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 66151819
methyl 2-[(3-propylimidazol-4-yl)methylamino]butanoate
CID 114283727
1-piperidin-1-yl-2-[(3-propylimidazol-4-yl)methylamino]propan-1-one
CID 66130168

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butanamide?
The IUPAC name of 4-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butanamide (CID 66146111) is 4-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butanamide.
What is the SMILES notation for 4-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butanamide?
The canonical SMILES for 4-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butanamide is CC(C)NCc1cncn1CCCC(N)=O.
What is the InChIKey of 4-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butanamide?
The InChIKey is GNZGHRUYQMSASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-9(2)14-7-10-6-13-8-15(10)5-3-4-11(12)16/h6,8-9,14H,3-5,7H2,1-2H3,(H2,12,16).
What are the key properties of 4-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butanamide?
4-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butanamide has a molecular weight of 224.31 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butanamide is sourced from PubChem (CID 66146111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).