(2-aminophenyl)-(5-methyl-1H-imidazol-2-yl)methanone

C11H11N3O — CID 67755647

IUPAC(2-aminophenyl)-(5-methyl-1H-imidazol-2-yl)methanone
SMILESCc1cnc(C(=O)c2ccccc2N)[nH]1
InChIInChI=1S/C11H11N3O/c1-7-6-13-11(14-7)10(15)8-4-2-3-5-9(8)12/h2-6H,12H2,1H3,(H,13,14)
InChIKeySGAOSYGTZUKVQJ-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.53
Rot. Bonds2

About (2-aminophenyl)-(5-methyl-1H-imidazol-2-yl)methanone

(2-aminophenyl)-(5-methyl-1H-imidazol-2-yl)methanone (PubChem CID 67755647) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is (2-aminophenyl)-(5-methyl-1H-imidazol-2-yl)methanone.

Molecular Properties

Compound Name(2-aminophenyl)-(5-methyl-1H-imidazol-2-yl)methanone
PubChem CID67755647
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name(2-aminophenyl)-(5-methyl-1H-imidazol-2-yl)methanone
SMILESCc1cnc(C(=O)c2ccccc2N)[nH]1
InChIInChI=1S/C11H11N3O/c1-7-6-13-11(14-7)10(15)8-4-2-3-5-9(8)12/h2-6H,12H2,1H3,(H,13,14)
InChIKeySGAOSYGTZUKVQJ-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-(5-methyl-1H-imidazol-2-yl)methanone?
The IUPAC name of (2-aminophenyl)-(5-methyl-1H-imidazol-2-yl)methanone (CID 67755647) is (2-aminophenyl)-(5-methyl-1H-imidazol-2-yl)methanone.
What is the SMILES notation for (2-aminophenyl)-(5-methyl-1H-imidazol-2-yl)methanone?
The canonical SMILES for (2-aminophenyl)-(5-methyl-1H-imidazol-2-yl)methanone is Cc1cnc(C(=O)c2ccccc2N)[nH]1.
What is the InChIKey of (2-aminophenyl)-(5-methyl-1H-imidazol-2-yl)methanone?
The InChIKey is SGAOSYGTZUKVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-7-6-13-11(14-7)10(15)8-4-2-3-5-9(8)12/h2-6H,12H2,1H3,(H,13,14).
What are the key properties of (2-aminophenyl)-(5-methyl-1H-imidazol-2-yl)methanone?
(2-aminophenyl)-(5-methyl-1H-imidazol-2-yl)methanone has a molecular weight of 201.23 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-(5-methyl-1H-imidazol-2-yl)methanone is sourced from PubChem (CID 67755647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).