2-(4H-imidazol-2-yl)-N-methylaniline

C10H11N3 — CID 4306146

IUPAC2-(4H-imidazol-2-yl)-N-methylaniline
SMILESCNc1ccccc1C1=NCC=N1
InChIInChI=1S/C10H11N3/c1-11-9-5-3-2-4-8(9)10-12-6-7-13-10/h2-6,11H,7H2,1H3
InChIKeyJPFWFYORPROUCO-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.56
Rot. Bonds2

About 2-(4H-imidazol-2-yl)-N-methylaniline

2-(4H-imidazol-2-yl)-N-methylaniline (PubChem CID 4306146) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-(4H-imidazol-2-yl)-N-methylaniline.

Molecular Properties

Compound Name2-(4H-imidazol-2-yl)-N-methylaniline
PubChem CID4306146
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name2-(4H-imidazol-2-yl)-N-methylaniline
SMILESCNc1ccccc1C1=NCC=N1
InChIInChI=1S/C10H11N3/c1-11-9-5-3-2-4-8(9)10-12-6-7-13-10/h2-6,11H,7H2,1H3
InChIKeyJPFWFYORPROUCO-UHFFFAOYSA-N
XLogP1.56
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 148431
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[(E)-C-ethyl-N-methoxycarbonimidoyl]aniline
CID 10244367
2-Ethyl-1,2-dihydro-4-quinazolinamine
CID 10313340
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[(E)-methoxyiminomethyl]aniline
CID 10399043
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[(E)-N-methoxy-C-methylcarbonimidoyl]aniline
CID 10422033
N-(3-Methylaminomethyl-phenyl)-acetamidine
CID 10569061
(4,5-Dihydro-1H-imidazol-2-ylmethyl)-p-tolyl-amine
CID 13123527
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[(Z)-C-ethyl-N-methoxycarbonimidoyl]aniline
CID 22493254
4-(Methylamino)quinazoline-2-thiol
CID 2578179
1,4-Dihydroquinazoline
CID 583065
4-(1,4,5,6-Tetrahydropyrimidin-2-yl)aniline
CID 20041375
N-((4,5-Dihydro-1H-imidazol-2-yl)methyl)-2-methylaniline
CID 129928082

Frequently Asked Questions

What is the IUPAC name of 2-(4H-imidazol-2-yl)-N-methylaniline?
The IUPAC name of 2-(4H-imidazol-2-yl)-N-methylaniline (CID 4306146) is 2-(4H-imidazol-2-yl)-N-methylaniline.
What is the SMILES notation for 2-(4H-imidazol-2-yl)-N-methylaniline?
The canonical SMILES for 2-(4H-imidazol-2-yl)-N-methylaniline is CNc1ccccc1C1=NCC=N1.
What is the InChIKey of 2-(4H-imidazol-2-yl)-N-methylaniline?
The InChIKey is JPFWFYORPROUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-11-9-5-3-2-4-8(9)10-12-6-7-13-10/h2-6,11H,7H2,1H3.
What are the key properties of 2-(4H-imidazol-2-yl)-N-methylaniline?
2-(4H-imidazol-2-yl)-N-methylaniline has a molecular weight of 173.22 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-imidazol-2-yl)-N-methylaniline is sourced from PubChem (CID 4306146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).