[4-(aminomethyl)phenyl]-(1-ethylimidazol-2-yl)methanone

C13H15N3O — CID 116548266

IUPAC[4-(aminomethyl)phenyl]-(1-ethylimidazol-2-yl)methanone
SMILESCCn1ccnc1C(=O)c1ccc(CN)cc1
InChIInChI=1S/C13H15N3O/c1-2-16-8-7-15-13(16)12(17)11-5-3-10(9-14)4-6-11/h3-8H,2,9,14H2,1H3
InChIKeyCZGWTAOFQSREFV-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.59
Rot. Bonds4

About [4-(aminomethyl)phenyl]-(1-ethylimidazol-2-yl)methanone

[4-(aminomethyl)phenyl]-(1-ethylimidazol-2-yl)methanone (PubChem CID 116548266) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(1-ethylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(1-ethylimidazol-2-yl)methanone
PubChem CID116548266
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name[4-(aminomethyl)phenyl]-(1-ethylimidazol-2-yl)methanone
SMILESCCn1ccnc1C(=O)c1ccc(CN)cc1
InChIInChI=1S/C13H15N3O/c1-2-16-8-7-15-13(16)12(17)11-5-3-10(9-14)4-6-11/h3-8H,2,9,14H2,1H3
InChIKeyCZGWTAOFQSREFV-UHFFFAOYSA-N
XLogP1.59
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(aminomethyl)furan-2-yl]-(1-ethylimidazol-2-yl)methanone
CID 116590098
[4-(2-aminoethyl)phenyl]-(1-propylimidazol-2-yl)methanone
CID 116577736
(4-butoxyphenyl)-(1-ethylimidazol-2-yl)methanone
CID 105101200
(5-chlorofuran-2-yl)-(1-ethylimidazol-2-yl)methanone
CID 106689394
(1-ethylimidazol-2-yl)-(4-fluoro-3-methoxyphenyl)methanone
CID 81285036
(1-ethylimidazol-2-yl)-quinolin-6-ylmethanone
CID 62873887
1-(1-ethylimidazol-2-yl)-2-(4-methylphenyl)ethanone
CID 63975424
(1-ethylimidazol-2-yl)-(6-methyl-2-pyridinyl)methanone
CID 63977122
[2-(2-aminoethyl)phenyl]-(1-ethylimidazol-2-yl)methanone
CID 116577477
1-(1-ethylimidazol-2-yl)-2-hydroxy-2-methylbutan-1-one
CID 103446629
(1-ethylimidazol-2-yl)-(2-methylphenyl)methanone
CID 61316085
2-(aminomethyl)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-one
CID 116610931

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(1-ethylimidazol-2-yl)methanone?
The IUPAC name of [4-(aminomethyl)phenyl]-(1-ethylimidazol-2-yl)methanone (CID 116548266) is [4-(aminomethyl)phenyl]-(1-ethylimidazol-2-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(1-ethylimidazol-2-yl)methanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-(1-ethylimidazol-2-yl)methanone is CCn1ccnc1C(=O)c1ccc(CN)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-(1-ethylimidazol-2-yl)methanone?
The InChIKey is CZGWTAOFQSREFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-16-8-7-15-13(16)12(17)11-5-3-10(9-14)4-6-11/h3-8H,2,9,14H2,1H3.
What are the key properties of [4-(aminomethyl)phenyl]-(1-ethylimidazol-2-yl)methanone?
[4-(aminomethyl)phenyl]-(1-ethylimidazol-2-yl)methanone has a molecular weight of 229.28 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(1-ethylimidazol-2-yl)methanone is sourced from PubChem (CID 116548266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).