3-(5-propyl-1H-imidazol-2-yl)aniline

C12H15N3 — CID 116877695

IUPAC3-(5-propyl-1H-imidazol-2-yl)aniline
SMILESCCCc1cnc(-c2cccc(N)c2)[nH]1
InChIInChI=1S/C12H15N3/c1-2-4-11-8-14-12(15-11)9-5-3-6-10(13)7-9/h3,5-8H,2,4,13H2,1H3,(H,14,15)
InChIKeyQNCNLJRHSPHKSF-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.61
Rot. Bonds3

About 3-(5-propyl-1H-imidazol-2-yl)aniline

3-(5-propyl-1H-imidazol-2-yl)aniline (PubChem CID 116877695) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(5-propyl-1H-imidazol-2-yl)aniline.

Molecular Properties

Compound Name3-(5-propyl-1H-imidazol-2-yl)aniline
PubChem CID116877695
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name3-(5-propyl-1H-imidazol-2-yl)aniline
SMILESCCCc1cnc(-c2cccc(N)c2)[nH]1
InChIInChI=1S/C12H15N3/c1-2-4-11-8-14-12(15-11)9-5-3-6-10(13)7-9/h3,5-8H,2,4,13H2,1H3,(H,14,15)
InChIKeyQNCNLJRHSPHKSF-UHFFFAOYSA-N
XLogP2.61
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-propyl-1H-imidazol-2-yl)aniline?
The IUPAC name of 3-(5-propyl-1H-imidazol-2-yl)aniline (CID 116877695) is 3-(5-propyl-1H-imidazol-2-yl)aniline.
What is the SMILES notation for 3-(5-propyl-1H-imidazol-2-yl)aniline?
The canonical SMILES for 3-(5-propyl-1H-imidazol-2-yl)aniline is CCCc1cnc(-c2cccc(N)c2)[nH]1.
What is the InChIKey of 3-(5-propyl-1H-imidazol-2-yl)aniline?
The InChIKey is QNCNLJRHSPHKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-2-4-11-8-14-12(15-11)9-5-3-6-10(13)7-9/h3,5-8H,2,4,13H2,1H3,(H,14,15).
What are the key properties of 3-(5-propyl-1H-imidazol-2-yl)aniline?
3-(5-propyl-1H-imidazol-2-yl)aniline has a molecular weight of 201.27 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-propyl-1H-imidazol-2-yl)aniline is sourced from PubChem (CID 116877695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).