(4-amino-1H-imidazol-5-yl)-(4-methoxyphenyl)methanone

C11H11N3O2 — CID 11506772

IUPAC(4-amino-1H-imidazol-5-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2[nH]cnc2N)cc1
InChIInChI=1S/C11H11N3O2/c1-16-8-4-2-7(3-5-8)10(15)9-11(12)14-6-13-9/h2-6H,12H2,1H3,(H,13,14)
InChIKeyUEBRRFUTKNLUCL-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.23
Rot. Bonds3

About (4-amino-1H-imidazol-5-yl)-(4-methoxyphenyl)methanone

(4-amino-1H-imidazol-5-yl)-(4-methoxyphenyl)methanone (PubChem CID 11506772) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is (4-amino-1H-imidazol-5-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-amino-1H-imidazol-5-yl)-(4-methoxyphenyl)methanone
PubChem CID11506772
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name(4-amino-1H-imidazol-5-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2[nH]cnc2N)cc1
InChIInChI=1S/C11H11N3O2/c1-16-8-4-2-7(3-5-8)10(15)9-11(12)14-6-13-9/h2-6H,12H2,1H3,(H,13,14)
InChIKeyUEBRRFUTKNLUCL-UHFFFAOYSA-N
XLogP1.23
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-(3-(1H-Imidazol-4-yl)propyloxy)phenyl)ethanone
CID 11776588
1h-Imidazol-4-yl(4-methoxyphenyl)methanone
CID 760231
Cyclopropyl-{4-[2-(1H-imidazol-4-yl)-ethoxy]-phenyl}-methanone
CID 10422544
4-[2-(4-Acetylphenoxy)ethyl]-1H-imidazole
CID 10680963
1-{4-[2-(1H-Imidazol-4-yl)-ethoxy]-phenyl}-propan-1-one
CID 10728982
(4-Fluorophenyl)(2-(4-methoxyphenyl)-1H-imidazol-4-yl)methanone
CID 49787836
(3,4-dimethoxyphenyl)(1H-imidazol-5-yl)methanone
CID 1504505
(2-ethyl-1-methyl-1H-imidazol-5-yl)(4-methoxyphenyl)methanone
CID 791823
(4-Methoxyphenyl)-(3-methyl-2-propyl-4-imidazolyl)methanone
CID 791826
1-{4-[4-(1H-Imidazol-4-yl)-butoxy]-phenyl}-ethanone
CID 44386214
(4-Methoxyphenyl)-(3-methyl-2-propan-2-ylimidazol-4-yl)methanone
CID 764412
(4-methoxyphenyl)-(2-phenyl-1H-imidazol-5-yl)methanone
CID 49788951

Frequently Asked Questions

What is the IUPAC name of (4-amino-1H-imidazol-5-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (4-amino-1H-imidazol-5-yl)-(4-methoxyphenyl)methanone (CID 11506772) is (4-amino-1H-imidazol-5-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (4-amino-1H-imidazol-5-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (4-amino-1H-imidazol-5-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2[nH]cnc2N)cc1.
What is the InChIKey of (4-amino-1H-imidazol-5-yl)-(4-methoxyphenyl)methanone?
The InChIKey is UEBRRFUTKNLUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-8-4-2-7(3-5-8)10(15)9-11(12)14-6-13-9/h2-6H,12H2,1H3,(H,13,14).
What are the key properties of (4-amino-1H-imidazol-5-yl)-(4-methoxyphenyl)methanone?
(4-amino-1H-imidazol-5-yl)-(4-methoxyphenyl)methanone has a molecular weight of 217.23 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1H-imidazol-5-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 11506772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).