4-(4,5-dimethylimidazol-1-yl)-N-methylaniline

C12H15N3 — CID 167254257

IUPAC4-(4,5-dimethylimidazol-1-yl)-N-methylaniline
SMILESCNc1ccc(-n2cnc(C)c2C)cc1
InChIInChI=1S/C12H15N3/c1-9-10(2)15(8-14-9)12-6-4-11(13-3)5-7-12/h4-8,13H,1-3H3
InChIKeyUGFCJYZKDUWPCA-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.53
Rot. Bonds2

About 4-(4,5-dimethylimidazol-1-yl)-N-methylaniline

4-(4,5-dimethylimidazol-1-yl)-N-methylaniline (PubChem CID 167254257) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-(4,5-dimethylimidazol-1-yl)-N-methylaniline.

Molecular Properties

Compound Name4-(4,5-dimethylimidazol-1-yl)-N-methylaniline
PubChem CID167254257
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name4-(4,5-dimethylimidazol-1-yl)-N-methylaniline
SMILESCNc1ccc(-n2cnc(C)c2C)cc1
InChIInChI=1S/C12H15N3/c1-9-10(2)15(8-14-9)12-6-4-11(13-3)5-7-12/h4-8,13H,1-3H3
InChIKeyUGFCJYZKDUWPCA-UHFFFAOYSA-N
XLogP2.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-N-methylaniline?
The IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-N-methylaniline (CID 167254257) is 4-(4,5-dimethylimidazol-1-yl)-N-methylaniline.
What is the SMILES notation for 4-(4,5-dimethylimidazol-1-yl)-N-methylaniline?
The canonical SMILES for 4-(4,5-dimethylimidazol-1-yl)-N-methylaniline is CNc1ccc(-n2cnc(C)c2C)cc1.
What is the InChIKey of 4-(4,5-dimethylimidazol-1-yl)-N-methylaniline?
The InChIKey is UGFCJYZKDUWPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9-10(2)15(8-14-9)12-6-4-11(13-3)5-7-12/h4-8,13H,1-3H3.
What are the key properties of 4-(4,5-dimethylimidazol-1-yl)-N-methylaniline?
4-(4,5-dimethylimidazol-1-yl)-N-methylaniline has a molecular weight of 201.27 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylimidazol-1-yl)-N-methylaniline is sourced from PubChem (CID 167254257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).