2-(1H-imidazol-5-yl)aniline

C9H9N3 — CID 14698017

IUPAC2-(1H-imidazol-5-yl)aniline
SMILESNc1ccccc1-c1cnc[nH]1
InChIInChI=1S/C9H9N3/c10-8-4-2-1-3-7(8)9-5-11-6-12-9/h1-6H,10H2,(H,11,12)
InChIKeyPMRSJVPLBREJKW-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.66
Rot. Bonds1

About 2-(1H-imidazol-5-yl)aniline

2-(1H-imidazol-5-yl)aniline (PubChem CID 14698017) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)aniline.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)aniline
PubChem CID14698017
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name2-(1H-imidazol-5-yl)aniline
SMILESNc1ccccc1-c1cnc[nH]1
InChIInChI=1S/C9H9N3/c10-8-4-2-1-3-7(8)9-5-11-6-12-9/h1-6H,10H2,(H,11,12)
InChIKeyPMRSJVPLBREJKW-UHFFFAOYSA-N
XLogP1.66
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-imidazol-5-yl)aniline;dihydrochloride
CID 155973164
[2-(1H-imidazol-5-yl)phenyl]methanamine
CID 21023616
bis[2-(1H-imidazol-5-yl)phenyl]methanone
CID 118549351
5-(1H-imidazol-5-yl)naphthalen-1-ol
CID 174313380
2-[[4-(1H-imidazol-5-yl)anilino]methyl]aniline
CID 66387858
6-fluoro-5-(1H-imidazol-5-yl)pyridin-2-amine
CID 175935597
2-[2-(1H-imidazol-5-yl)phenyl]propanoic acid
CID 115029533
5-[2-(2-pyrrol-1-ylethoxy)phenyl]-1H-imidazole
CID 58294140
4-(1H-imidazol-5-yl)quinoline
CID 11063321
2-[2-(1H-imidazol-5-yl)phenoxy]acetaldehyde
CID 143884984
5-[2-(2-thiophen-2-ylethoxy)phenyl]-1H-imidazole
CID 52933204
lithium (2S)-2-amino-4-[2-(1H-imidazol-5-yl)phenyl]butanoate
CID 86673019

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)aniline?
The IUPAC name of 2-(1H-imidazol-5-yl)aniline (CID 14698017) is 2-(1H-imidazol-5-yl)aniline.
What is the SMILES notation for 2-(1H-imidazol-5-yl)aniline?
The canonical SMILES for 2-(1H-imidazol-5-yl)aniline is Nc1ccccc1-c1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-yl)aniline?
The InChIKey is PMRSJVPLBREJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c10-8-4-2-1-3-7(8)9-5-11-6-12-9/h1-6H,10H2,(H,11,12).
What are the key properties of 2-(1H-imidazol-5-yl)aniline?
2-(1H-imidazol-5-yl)aniline has a molecular weight of 159.19 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)aniline is sourced from PubChem (CID 14698017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).