N,N-dimethyl-2-(5-methylimidazol-1-yl)aniline

C12H15N3 — CID 152657111

IUPACN,N-dimethyl-2-(5-methylimidazol-1-yl)aniline
SMILESCc1cncn1-c1ccccc1N(C)C
InChIInChI=1S/C12H15N3/c1-10-8-13-9-15(10)12-7-5-4-6-11(12)14(2)3/h4-9H,1-3H3
InChIKeyZITGBTIQMHEPCT-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.25
Rot. Bonds2

About N,N-dimethyl-2-(5-methylimidazol-1-yl)aniline

N,N-dimethyl-2-(5-methylimidazol-1-yl)aniline (PubChem CID 152657111) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N,N-dimethyl-2-(5-methylimidazol-1-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-(5-methylimidazol-1-yl)aniline
PubChem CID152657111
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN,N-dimethyl-2-(5-methylimidazol-1-yl)aniline
SMILESCc1cncn1-c1ccccc1N(C)C
InChIInChI=1S/C12H15N3/c1-10-8-13-9-15(10)12-7-5-4-6-11(12)14(2)3/h4-9H,1-3H3
InChIKeyZITGBTIQMHEPCT-UHFFFAOYSA-N
XLogP2.25
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(5-methylimidazol-1-yl)aniline?
The IUPAC name of N,N-dimethyl-2-(5-methylimidazol-1-yl)aniline (CID 152657111) is N,N-dimethyl-2-(5-methylimidazol-1-yl)aniline.
What is the SMILES notation for N,N-dimethyl-2-(5-methylimidazol-1-yl)aniline?
The canonical SMILES for N,N-dimethyl-2-(5-methylimidazol-1-yl)aniline is Cc1cncn1-c1ccccc1N(C)C.
What is the InChIKey of N,N-dimethyl-2-(5-methylimidazol-1-yl)aniline?
The InChIKey is ZITGBTIQMHEPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-10-8-13-9-15(10)12-7-5-4-6-11(12)14(2)3/h4-9H,1-3H3.
What are the key properties of N,N-dimethyl-2-(5-methylimidazol-1-yl)aniline?
N,N-dimethyl-2-(5-methylimidazol-1-yl)aniline has a molecular weight of 201.27 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(5-methylimidazol-1-yl)aniline is sourced from PubChem (CID 152657111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).