(2-amino-5-methylphenyl)-(1-ethylimidazol-2-yl)methanone

C13H15N3O — CID 65453989

IUPAC(2-amino-5-methylphenyl)-(1-ethylimidazol-2-yl)methanone
SMILESCCn1ccnc1C(=O)c1cc(C)ccc1N
InChIInChI=1S/C13H15N3O/c1-3-16-7-6-15-13(16)12(17)10-8-9(2)4-5-11(10)14/h4-8H,3,14H2,1-2H3
InChIKeyMMKLJYJQCIXOHG-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.02
Rot. Bonds3

About (2-amino-5-methylphenyl)-(1-ethylimidazol-2-yl)methanone

(2-amino-5-methylphenyl)-(1-ethylimidazol-2-yl)methanone (PubChem CID 65453989) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is (2-amino-5-methylphenyl)-(1-ethylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-methylphenyl)-(1-ethylimidazol-2-yl)methanone
PubChem CID65453989
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name(2-amino-5-methylphenyl)-(1-ethylimidazol-2-yl)methanone
SMILESCCn1ccnc1C(=O)c1cc(C)ccc1N
InChIInChI=1S/C13H15N3O/c1-3-16-7-6-15-13(16)12(17)10-8-9(2)4-5-11(10)14/h4-8H,3,14H2,1-2H3
InChIKeyMMKLJYJQCIXOHG-UHFFFAOYSA-N
XLogP2.02
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(1-ethylimidazol-2-yl)-(2-methylphenyl)methanone
CID 61316085
(1-ethylimidazol-2-yl)-(2-fluoro-3-methylphenyl)methanone
CID 81477833
(1-ethylimidazol-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 61316659
(5-amino-1H-pyrazol-4-yl)-(1-ethylimidazol-2-yl)methanone
CID 65360718
(4-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanone
CID 61314198
[2-(2-aminoethyl)phenyl]-(1-ethylimidazol-2-yl)methanone
CID 116577477
[5-(aminomethyl)furan-2-yl]-(1-ethylimidazol-2-yl)methanone
CID 116590098
1-(1-ethylimidazol-2-yl)-2-(4-methylphenyl)ethanone
CID 63975424
(1-ethylimidazol-2-yl)-(6-methyl-2-pyridinyl)methanone
CID 63977122
[4-(aminomethyl)phenyl]-(1-ethylimidazol-2-yl)methanone
CID 116548266
(5-chlorofuran-2-yl)-(1-ethylimidazol-2-yl)methanone
CID 106689394
(1-ethylimidazol-2-yl)-quinolin-6-ylmethanone
CID 62873887

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methylphenyl)-(1-ethylimidazol-2-yl)methanone?
The IUPAC name of (2-amino-5-methylphenyl)-(1-ethylimidazol-2-yl)methanone (CID 65453989) is (2-amino-5-methylphenyl)-(1-ethylimidazol-2-yl)methanone.
What is the SMILES notation for (2-amino-5-methylphenyl)-(1-ethylimidazol-2-yl)methanone?
The canonical SMILES for (2-amino-5-methylphenyl)-(1-ethylimidazol-2-yl)methanone is CCn1ccnc1C(=O)c1cc(C)ccc1N.
What is the InChIKey of (2-amino-5-methylphenyl)-(1-ethylimidazol-2-yl)methanone?
The InChIKey is MMKLJYJQCIXOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-3-16-7-6-15-13(16)12(17)10-8-9(2)4-5-11(10)14/h4-8H,3,14H2,1-2H3.
What are the key properties of (2-amino-5-methylphenyl)-(1-ethylimidazol-2-yl)methanone?
(2-amino-5-methylphenyl)-(1-ethylimidazol-2-yl)methanone has a molecular weight of 229.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methylphenyl)-(1-ethylimidazol-2-yl)methanone is sourced from PubChem (CID 65453989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).