1-anilino-3-(1-methylimidazol-2-yl)propan-2-one

C13H15N3O — CID 116555402

IUPAC1-anilino-3-(1-methylimidazol-2-yl)propan-2-one
SMILESCn1ccnc1CC(=O)CNc1ccccc1
InChIInChI=1S/C13H15N3O/c1-16-8-7-14-13(16)9-12(17)10-15-11-5-3-2-4-6-11/h2-8,15H,9-10H2,1H3
InChIKeyFYOYYAIZWVQBGO-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.64
Rot. Bonds5

About 1-anilino-3-(1-methylimidazol-2-yl)propan-2-one

1-anilino-3-(1-methylimidazol-2-yl)propan-2-one (PubChem CID 116555402) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-anilino-3-(1-methylimidazol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-anilino-3-(1-methylimidazol-2-yl)propan-2-one
PubChem CID116555402
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-anilino-3-(1-methylimidazol-2-yl)propan-2-one
SMILESCn1ccnc1CC(=O)CNc1ccccc1
InChIInChI=1S/C13H15N3O/c1-16-8-7-14-13(16)9-12(17)10-15-11-5-3-2-4-6-11/h2-8,15H,9-10H2,1H3
InChIKeyFYOYYAIZWVQBGO-UHFFFAOYSA-N
XLogP1.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[3-(1H-imidazol-1-yl)propyl]-N'-phenylethanediamide
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1-(2-bromoethyl)-N-phenyl-1H-imidazole-4-carboxamide
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3-imidazol-1-yl-N-phenylbutanamide
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N-[4-(acetylamino)phenyl]-3-(1H-imidazol-1-yl)butanamide
CID 24761528
Ethyl-(3H-imidazol-4-ylmethyl)-phenyl-amine
CID 24946957
N-(1H-imidazol-5-ylmethyl)-N-methylaniline
CID 24946958
(1H-Imidazol-2-ylmethyl)-isopropyl-phenyl-amine
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Frequently Asked Questions

What is the IUPAC name of 1-anilino-3-(1-methylimidazol-2-yl)propan-2-one?
The IUPAC name of 1-anilino-3-(1-methylimidazol-2-yl)propan-2-one (CID 116555402) is 1-anilino-3-(1-methylimidazol-2-yl)propan-2-one.
What is the SMILES notation for 1-anilino-3-(1-methylimidazol-2-yl)propan-2-one?
The canonical SMILES for 1-anilino-3-(1-methylimidazol-2-yl)propan-2-one is Cn1ccnc1CC(=O)CNc1ccccc1.
What is the InChIKey of 1-anilino-3-(1-methylimidazol-2-yl)propan-2-one?
The InChIKey is FYOYYAIZWVQBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-16-8-7-14-13(16)9-12(17)10-15-11-5-3-2-4-6-11/h2-8,15H,9-10H2,1H3.
What are the key properties of 1-anilino-3-(1-methylimidazol-2-yl)propan-2-one?
1-anilino-3-(1-methylimidazol-2-yl)propan-2-one has a molecular weight of 229.28 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-(1-methylimidazol-2-yl)propan-2-one is sourced from PubChem (CID 116555402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).