3-(2-amino-5-methyl-1H-imidazol-4-yl)benzaldehyde

C11H11N3O — CID 105453451

IUPAC3-(2-amino-5-methyl-1H-imidazol-4-yl)benzaldehyde
SMILESCc1[nH]c(N)nc1-c1cccc(C=O)c1
InChIInChI=1S/C11H11N3O/c1-7-10(14-11(12)13-7)9-4-2-3-8(5-9)6-15/h2-6H,1H3,(H3,12,13,14)
InChIKeyZGKQLOSVECKLJI-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.78
Rot. Bonds2

About 3-(2-amino-5-methyl-1H-imidazol-4-yl)benzaldehyde

3-(2-amino-5-methyl-1H-imidazol-4-yl)benzaldehyde (PubChem CID 105453451) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 3-(2-amino-5-methyl-1H-imidazol-4-yl)benzaldehyde.

Molecular Properties

Compound Name3-(2-amino-5-methyl-1H-imidazol-4-yl)benzaldehyde
PubChem CID105453451
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name3-(2-amino-5-methyl-1H-imidazol-4-yl)benzaldehyde
SMILESCc1[nH]c(N)nc1-c1cccc(C=O)c1
InChIInChI=1S/C11H11N3O/c1-7-10(14-11(12)13-7)9-4-2-3-8(5-9)6-15/h2-6H,1H3,(H3,12,13,14)
InChIKeyZGKQLOSVECKLJI-UHFFFAOYSA-N
XLogP1.78
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-4-(3-methylphenyl)-1H-imidazole-2-carbaldehyde
CID 105452812
4-(3-amino-4-fluorophenyl)-5-methyl-1H-imidazol-2-amine
CID 115024516
4-(2-amino-5-methyl-1H-imidazol-4-yl)benzene-1,2-diol
CID 115023925
3-(4-amino-2,6-dimethylphenyl)benzaldehyde
CID 143071394
3-(3-amino-5-methylphenyl)benzaldehyde
CID 165490031
4-(2,3-dihydro-1H-inden-5-yl)-5-methyl-1H-imidazol-2-amine
CID 82471020
3-(5-methylpyrimidin-4-yl)benzaldehyde
CID 166845050
3-(2,6-dimethylpyrimidin-4-yl)benzaldehyde
CID 105465951
3-(3,4-diaminophenyl)benzaldehyde
CID 154095647
5-methyl-4-(4-propan-2-ylphenyl)-1H-imidazol-2-amine
CID 82471370
3-(2,3,4,5-tetramethylphenyl)benzaldehyde
CID 87595803
3-(5-methyl-1,2,4-oxadiazol-3-yl)benzaldehyde
CID 7060547

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-methyl-1H-imidazol-4-yl)benzaldehyde?
The IUPAC name of 3-(2-amino-5-methyl-1H-imidazol-4-yl)benzaldehyde (CID 105453451) is 3-(2-amino-5-methyl-1H-imidazol-4-yl)benzaldehyde.
What is the SMILES notation for 3-(2-amino-5-methyl-1H-imidazol-4-yl)benzaldehyde?
The canonical SMILES for 3-(2-amino-5-methyl-1H-imidazol-4-yl)benzaldehyde is Cc1[nH]c(N)nc1-c1cccc(C=O)c1.
What is the InChIKey of 3-(2-amino-5-methyl-1H-imidazol-4-yl)benzaldehyde?
The InChIKey is ZGKQLOSVECKLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-7-10(14-11(12)13-7)9-4-2-3-8(5-9)6-15/h2-6H,1H3,(H3,12,13,14).
What are the key properties of 3-(2-amino-5-methyl-1H-imidazol-4-yl)benzaldehyde?
3-(2-amino-5-methyl-1H-imidazol-4-yl)benzaldehyde has a molecular weight of 201.23 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-methyl-1H-imidazol-4-yl)benzaldehyde is sourced from PubChem (CID 105453451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).