(4-aminophenyl)-(1-methylimidazol-4-yl)methanone

C11H11N3O — CID 130508917

IUPAC(4-aminophenyl)-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)c2ccc(N)cc2)c1
InChIInChI=1S/C11H11N3O/c1-14-6-10(13-7-14)11(15)8-2-4-9(12)5-3-8/h2-7H,12H2,1H3
InChIKeySVPNLMJBZWXLQQ-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.23
Rot. Bonds2

About (4-aminophenyl)-(1-methylimidazol-4-yl)methanone

(4-aminophenyl)-(1-methylimidazol-4-yl)methanone (PubChem CID 130508917) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is (4-aminophenyl)-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(1-methylimidazol-4-yl)methanone
PubChem CID130508917
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name(4-aminophenyl)-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)c2ccc(N)cc2)c1
InChIInChI=1S/C11H11N3O/c1-14-6-10(13-7-14)11(15)8-2-4-9(12)5-3-8/h2-7H,12H2,1H3
InChIKeySVPNLMJBZWXLQQ-UHFFFAOYSA-N
XLogP1.23
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(1-methylimidazol-4-yl)methanone?
The IUPAC name of (4-aminophenyl)-(1-methylimidazol-4-yl)methanone (CID 130508917) is (4-aminophenyl)-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(1-methylimidazol-4-yl)methanone is Cn1cnc(C(=O)c2ccc(N)cc2)c1.
What is the InChIKey of (4-aminophenyl)-(1-methylimidazol-4-yl)methanone?
The InChIKey is SVPNLMJBZWXLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-14-6-10(13-7-14)11(15)8-2-4-9(12)5-3-8/h2-7H,12H2,1H3.
What are the key properties of (4-aminophenyl)-(1-methylimidazol-4-yl)methanone?
(4-aminophenyl)-(1-methylimidazol-4-yl)methanone has a molecular weight of 201.23 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(1-methylimidazol-4-yl)methanone is sourced from PubChem (CID 130508917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).