[3-(2-aminoethoxy)phenyl]-(1-methylimidazol-2-yl)methanone

C13H15N3O2 — CID 96662606

IUPAC[3-(2-aminoethoxy)phenyl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)c1cccc(OCCN)c1
InChIInChI=1S/C13H15N3O2/c1-16-7-6-15-13(16)12(17)10-3-2-4-11(9-10)18-8-5-14/h2-4,6-7,9H,5,8,14H2,1H3
InChIKeySQWMGRMAEJNYCH-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.99
Rot. Bonds5

About [3-(2-aminoethoxy)phenyl]-(1-methylimidazol-2-yl)methanone

[3-(2-aminoethoxy)phenyl]-(1-methylimidazol-2-yl)methanone (PubChem CID 96662606) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is [3-(2-aminoethoxy)phenyl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[3-(2-aminoethoxy)phenyl]-(1-methylimidazol-2-yl)methanone
PubChem CID96662606
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name[3-(2-aminoethoxy)phenyl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)c1cccc(OCCN)c1
InChIInChI=1S/C13H15N3O2/c1-16-7-6-15-13(16)12(17)10-3-2-4-11(9-10)18-8-5-14/h2-4,6-7,9H,5,8,14H2,1H3
InChIKeySQWMGRMAEJNYCH-UHFFFAOYSA-N
XLogP0.99
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)-4-pyridinyl]-(1-methylimidazol-2-yl)methanone
CID 116601746
(1-methylimidazol-2-yl)-naphthalen-2-ylmethanone
CID 60660061
[3-(2-aminoethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 28761599
1-[3-(3-aminopropoxy)phenyl]ethanone
CID 82146512
3-(2-aminoethoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 118793810
1-[3-(2-aminoethoxy)phenyl]-3-phenylprop-2-yn-1-one
CID 25164363
[4-[4-(2-hydroxyethoxy)anilino]-3-nitrophenyl]-(1-methylimidazol-2-yl)methanone
CID 133310922
3-(2-aminoethoxy)-N-[2-(5-amino-1,3,4-thiadiazol-2-yl)propan-2-yl]benzamide
CID 118777236
N-[3-(1-methylimidazole-2-carbonyl)phenyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 124655998
[3-(2-aminoethoxy)phenyl]-[(1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 118777000
ethyl 3-(3-imidazol-1-ylpropoxy)benzoate
CID 139771562
3-propoxybenzamide
CID 22311435

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethoxy)phenyl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [3-(2-aminoethoxy)phenyl]-(1-methylimidazol-2-yl)methanone (CID 96662606) is [3-(2-aminoethoxy)phenyl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [3-(2-aminoethoxy)phenyl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [3-(2-aminoethoxy)phenyl]-(1-methylimidazol-2-yl)methanone is Cn1ccnc1C(=O)c1cccc(OCCN)c1.
What is the InChIKey of [3-(2-aminoethoxy)phenyl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is SQWMGRMAEJNYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-16-7-6-15-13(16)12(17)10-3-2-4-11(9-10)18-8-5-14/h2-4,6-7,9H,5,8,14H2,1H3.
What are the key properties of [3-(2-aminoethoxy)phenyl]-(1-methylimidazol-2-yl)methanone?
[3-(2-aminoethoxy)phenyl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 245.28 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethoxy)phenyl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 96662606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).