1-[1-(2-aminoethyl)imidazol-4-yl]-2-(oxan-4-yl)ethanone

C12H19N3O2 — CID 107501660

IUPAC1-[1-(2-aminoethyl)imidazol-4-yl]-2-(oxan-4-yl)ethanone
SMILESNCCn1cnc(C(=O)CC2CCOCC2)c1
InChIInChI=1S/C12H19N3O2/c13-3-4-15-8-11(14-9-15)12(16)7-10-1-5-17-6-2-10/h8-10H,1-7,13H2
InChIKeyCZVUFDWABZXOTH-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.84
Rot. Bonds5

About 1-[1-(2-aminoethyl)imidazol-4-yl]-2-(oxan-4-yl)ethanone

1-[1-(2-aminoethyl)imidazol-4-yl]-2-(oxan-4-yl)ethanone (PubChem CID 107501660) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[1-(2-aminoethyl)imidazol-4-yl]-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name1-[1-(2-aminoethyl)imidazol-4-yl]-2-(oxan-4-yl)ethanone
PubChem CID107501660
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[1-(2-aminoethyl)imidazol-4-yl]-2-(oxan-4-yl)ethanone
SMILESNCCn1cnc(C(=O)CC2CCOCC2)c1
InChIInChI=1S/C12H19N3O2/c13-3-4-15-8-11(14-9-15)12(16)7-10-1-5-17-6-2-10/h8-10H,1-7,13H2
InChIKeyCZVUFDWABZXOTH-UHFFFAOYSA-N
XLogP0.84
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-Aminoethyl)imidazol-4-yl]-2-(3,3-difluorocyclohexyl)ethanone
CID 114225610
1-Methyl-4-(cyclohexylacetyl)imidazole
CID 580096
1-[1-(Methoxymethyl)-2-methylimidazol-4-yl]-4,4-dimethylpentan-1-one
CID 10988338
Cyclohexyl-[3-methyl-2-(3-piperidin-1-ylpropoxy)imidazol-4-yl]methanone
CID 11624140
6-(4-piperidinyl)-5,6-dihydro-7H-pyrrolo[1,2-c]imidazol-7-one dihydrochloride
CID 23084055
6-Piperidin-4-yl-5,6-dihydropyrrolo[1,2-c]imidazol-7-one
CID 23084056
1-(Methoxymethyl)-4-[2-(oxan-4-yl)-2-oxoethyl]imidazole-2-carbaldehyde
CID 58278458
(3-Methylimidazol-4-yl)-piperidin-4-ylmethanone;hydrochloride
CID 66687557
4-(1-Methyl-1h-imidazole-5-carbonyl)piperidine
CID 66687558
(1-Methyl-1H-imidazol-5-yl)(tetrahydro-2H-pyran-4-yl)methanone
CID 82895191
1-(1H-imidazol-5-yl)-2-piperidin-4-ylethanone
CID 84733103
Butyl 4-(3-methylimidazole-4-carbonyl)piperidine-1-carboxylate
CID 90101863

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminoethyl)imidazol-4-yl]-2-(oxan-4-yl)ethanone?
The IUPAC name of 1-[1-(2-aminoethyl)imidazol-4-yl]-2-(oxan-4-yl)ethanone (CID 107501660) is 1-[1-(2-aminoethyl)imidazol-4-yl]-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 1-[1-(2-aminoethyl)imidazol-4-yl]-2-(oxan-4-yl)ethanone?
The canonical SMILES for 1-[1-(2-aminoethyl)imidazol-4-yl]-2-(oxan-4-yl)ethanone is NCCn1cnc(C(=O)CC2CCOCC2)c1.
What is the InChIKey of 1-[1-(2-aminoethyl)imidazol-4-yl]-2-(oxan-4-yl)ethanone?
The InChIKey is CZVUFDWABZXOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-3-4-15-8-11(14-9-15)12(16)7-10-1-5-17-6-2-10/h8-10H,1-7,13H2.
What are the key properties of 1-[1-(2-aminoethyl)imidazol-4-yl]-2-(oxan-4-yl)ethanone?
1-[1-(2-aminoethyl)imidazol-4-yl]-2-(oxan-4-yl)ethanone has a molecular weight of 237.30 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminoethyl)imidazol-4-yl]-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 107501660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).