4-(1H-imidazol-5-yl)-N-pentylaniline

C14H19N3 — CID 43722360

IUPAC4-(1H-imidazol-5-yl)-N-pentylaniline
SMILESCCCCCNc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C14H19N3/c1-2-3-4-9-16-13-7-5-12(6-8-13)14-10-15-11-17-14/h5-8,10-11,16H,2-4,9H2,1H3,(H,15,17)
InChIKeyPMFICRDQWLXLAI-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.68
Rot. Bonds6

About 4-(1H-imidazol-5-yl)-N-pentylaniline

4-(1H-imidazol-5-yl)-N-pentylaniline (PubChem CID 43722360) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-(1H-imidazol-5-yl)-N-pentylaniline.

Molecular Properties

Compound Name4-(1H-imidazol-5-yl)-N-pentylaniline
PubChem CID43722360
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-(1H-imidazol-5-yl)-N-pentylaniline
SMILESCCCCCNc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C14H19N3/c1-2-3-4-9-16-13-7-5-12(6-8-13)14-10-15-11-17-14/h5-8,10-11,16H,2-4,9H2,1H3,(H,15,17)
InChIKeyPMFICRDQWLXLAI-UHFFFAOYSA-N
XLogP3.68
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-yl)-N-pentylaniline?
The IUPAC name of 4-(1H-imidazol-5-yl)-N-pentylaniline (CID 43722360) is 4-(1H-imidazol-5-yl)-N-pentylaniline.
What is the SMILES notation for 4-(1H-imidazol-5-yl)-N-pentylaniline?
The canonical SMILES for 4-(1H-imidazol-5-yl)-N-pentylaniline is CCCCCNc1ccc(-c2cnc[nH]2)cc1.
What is the InChIKey of 4-(1H-imidazol-5-yl)-N-pentylaniline?
The InChIKey is PMFICRDQWLXLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-3-4-9-16-13-7-5-12(6-8-13)14-10-15-11-17-14/h5-8,10-11,16H,2-4,9H2,1H3,(H,15,17).
What are the key properties of 4-(1H-imidazol-5-yl)-N-pentylaniline?
4-(1H-imidazol-5-yl)-N-pentylaniline has a molecular weight of 229.33 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-yl)-N-pentylaniline is sourced from PubChem (CID 43722360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).