[1-(2-aminoethyl)imidazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone

C11H15N3O2 — CID 107501265

IUPAC[1-(2-aminoethyl)imidazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone
SMILESNCCn1cnc(C(=O)C2=COCCC2)c1
InChIInChI=1S/C11H15N3O2/c12-3-4-14-6-10(13-8-14)11(15)9-2-1-5-16-7-9/h6-8H,1-5,12H2
InChIKeyGFDGICKMWBTDIA-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.72
Rot. Bonds4

About [1-(2-aminoethyl)imidazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone

[1-(2-aminoethyl)imidazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone (PubChem CID 107501265) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is [1-(2-aminoethyl)imidazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone.

Molecular Properties

Compound Name[1-(2-aminoethyl)imidazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone
PubChem CID107501265
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name[1-(2-aminoethyl)imidazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone
SMILESNCCn1cnc(C(=O)C2=COCCC2)c1
InChIInChI=1S/C11H15N3O2/c12-3-4-14-6-10(13-8-14)11(15)9-2-1-5-16-7-9/h6-8H,1-5,12H2
InChIKeyGFDGICKMWBTDIA-UHFFFAOYSA-N
XLogP0.72
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-aminoethyl)imidazol-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 107501449
[1-(2-aminoethyl)imidazol-4-yl]-(2,6-difluorophenyl)methanone
CID 107501399
1-[1-(2-aminoethyl)imidazol-4-yl]-2-cyclopentylethanone
CID 107501388
[1-(2-aminoethyl)imidazol-4-yl]-(2-ethylpyrazol-3-yl)methanone
CID 107501467
[1-(2-aminoethyl)imidazol-4-yl]-(3-methylthiophen-2-yl)methanone
CID 107501641
[1-(2-aminoethyl)imidazol-4-yl]-(2,5-dichlorophenyl)methanone
CID 107501668
1-(2-aminoethyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]imidazole-4-carboxamide
CID 107852911
2-cyclobutylethyl 1-(2-aminoethyl)imidazole-4-carboxylate
CID 106202988
4-[1-(2-aminoethyl)imidazole-4-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
CID 107497233
[1-(2-aminoethyl)imidazol-4-yl]-(3-fluoro-5-methylphenyl)methanone
CID 107501248
3,4-dihydro-2H-pyran-5-yl-(2,5-dimethylpyrazol-3-yl)methanone
CID 105127413
1-(2-aminoethyl)-N,N-bis(2-amino-2-oxoethyl)imidazole-4-carboxamide
CID 107498391

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethyl)imidazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone?
The IUPAC name of [1-(2-aminoethyl)imidazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone (CID 107501265) is [1-(2-aminoethyl)imidazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone.
What is the SMILES notation for [1-(2-aminoethyl)imidazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone?
The canonical SMILES for [1-(2-aminoethyl)imidazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone is NCCn1cnc(C(=O)C2=COCCC2)c1.
What is the InChIKey of [1-(2-aminoethyl)imidazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone?
The InChIKey is GFDGICKMWBTDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-3-4-14-6-10(13-8-14)11(15)9-2-1-5-16-7-9/h6-8H,1-5,12H2.
What are the key properties of [1-(2-aminoethyl)imidazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone?
[1-(2-aminoethyl)imidazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone has a molecular weight of 221.26 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethyl)imidazol-4-yl]-(3,4-dihydro-2H-pyran-5-yl)methanone is sourced from PubChem (CID 107501265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).