(4-aminophenyl)-(2-ethylimidazol-1-yl)methanone

C12H13N3O — CID 110462577

IUPAC(4-aminophenyl)-(2-ethylimidazol-1-yl)methanone
SMILESCCc1nccn1C(=O)c1ccc(N)cc1
InChIInChI=1S/C12H13N3O/c1-2-11-14-7-8-15(11)12(16)9-3-5-10(13)6-4-9/h3-8H,2,13H2,1H3
InChIKeyYYKSKRGZVOEPFA-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.72
Rot. Bonds2

About (4-aminophenyl)-(2-ethylimidazol-1-yl)methanone

(4-aminophenyl)-(2-ethylimidazol-1-yl)methanone (PubChem CID 110462577) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is (4-aminophenyl)-(2-ethylimidazol-1-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(2-ethylimidazol-1-yl)methanone
PubChem CID110462577
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name(4-aminophenyl)-(2-ethylimidazol-1-yl)methanone
SMILESCCc1nccn1C(=O)c1ccc(N)cc1
InChIInChI=1S/C12H13N3O/c1-2-11-14-7-8-15(11)12(16)9-3-5-10(13)6-4-9/h3-8H,2,13H2,1H3
InChIKeyYYKSKRGZVOEPFA-UHFFFAOYSA-N
XLogP1.72
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-aminophenyl)-(2-ethylimidazol-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-ethylimidazol-1-yl)-(4-hydroxyphenyl)methanone
CID 110462638
1-(2-ethylimidazol-1-yl)propan-1-one
CID 110459273
1-(4-aminophenyl)-2-(1-propylimidazol-2-yl)ethanone
CID 22938877
3,3-bis(2-ethylimidazol-1-yl)prop-2-enal
CID 170945897
2-ethyl-N,N-dimethylimidazole-1-carboxamide
CID 110459897
ethyl 2-(2-ethylimidazol-1-yl)-2-oxoacetate
CID 110461523
(3-chloro-2-methylphenyl)-(2-ethylimidazol-1-yl)methanone
CID 110463745
(2-ethylimidazol-1-yl)-(2-methoxyphenyl)methanone
CID 110463081
4-amino-1-(2-ethylimidazol-1-yl)butan-1-one
CID 110460746
butyl 2-ethylimidazole-1-carboxylate
CID 154015301
1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533179
benzyl 2-ethylimidazole-1-carboxylate
CID 23385831

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(2-ethylimidazol-1-yl)methanone?
The IUPAC name of (4-aminophenyl)-(2-ethylimidazol-1-yl)methanone (CID 110462577) is (4-aminophenyl)-(2-ethylimidazol-1-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(2-ethylimidazol-1-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(2-ethylimidazol-1-yl)methanone is CCc1nccn1C(=O)c1ccc(N)cc1.
What is the InChIKey of (4-aminophenyl)-(2-ethylimidazol-1-yl)methanone?
The InChIKey is YYKSKRGZVOEPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-2-11-14-7-8-15(11)12(16)9-3-5-10(13)6-4-9/h3-8H,2,13H2,1H3.
What are the key properties of (4-aminophenyl)-(2-ethylimidazol-1-yl)methanone?
(4-aminophenyl)-(2-ethylimidazol-1-yl)methanone has a molecular weight of 215.26 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(2-ethylimidazol-1-yl)methanone is sourced from PubChem (CID 110462577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).