4-chloro-N-nonyl-3-(5-phenyl-1H-imidazol-2-yl)aniline

C24H30ClN3 — CID 162063457

IUPAC4-chloro-N-nonyl-3-(5-phenyl-1H-imidazol-2-yl)aniline
SMILESCCCCCCCCCNc1ccc(Cl)c(-c2ncc(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C24H30ClN3/c1-2-3-4-5-6-7-11-16-26-20-14-15-22(25)21(17-20)24-27-18-23(28-24)19-12-9-8-10-13-19/h8-10,12-15,17-18,26H,2-7,11,16H2,1H3,(H,27,28)
InChIKeyKGRARHWLYHCYFG-UHFFFAOYSA-N
MW395.98 g/mol
LogP7.56
Rot. Bonds11

About 4-chloro-N-nonyl-3-(5-phenyl-1H-imidazol-2-yl)aniline

4-chloro-N-nonyl-3-(5-phenyl-1H-imidazol-2-yl)aniline (PubChem CID 162063457) has the molecular formula C24H30ClN3 and a molecular weight of 395.98 g/mol. Its IUPAC name is 4-chloro-N-nonyl-3-(5-phenyl-1H-imidazol-2-yl)aniline.

Molecular Properties

Compound Name4-chloro-N-nonyl-3-(5-phenyl-1H-imidazol-2-yl)aniline
PubChem CID162063457
Molecular FormulaC24H30ClN3
Molecular Weight395.98 g/mol
Exact Mass395.21
IUPAC Name4-chloro-N-nonyl-3-(5-phenyl-1H-imidazol-2-yl)aniline
SMILESCCCCCCCCCNc1ccc(Cl)c(-c2ncc(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C24H30ClN3/c1-2-3-4-5-6-7-11-16-26-20-14-15-22(25)21(17-20)24-27-18-23(28-24)19-12-9-8-10-13-19/h8-10,12-15,17-18,26H,2-7,11,16H2,1H3,(H,27,28)
InChIKeyKGRARHWLYHCYFG-UHFFFAOYSA-N
XLogP7.56
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.98
LogP ≤ 57.56
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-chloro-N-nonyl-3-(5-phenyl-1H-imidazol-2-yl)aniline?
The IUPAC name of 4-chloro-N-nonyl-3-(5-phenyl-1H-imidazol-2-yl)aniline (CID 162063457) is 4-chloro-N-nonyl-3-(5-phenyl-1H-imidazol-2-yl)aniline.
What is the SMILES notation for 4-chloro-N-nonyl-3-(5-phenyl-1H-imidazol-2-yl)aniline?
The canonical SMILES for 4-chloro-N-nonyl-3-(5-phenyl-1H-imidazol-2-yl)aniline is CCCCCCCCCNc1ccc(Cl)c(-c2ncc(-c3ccccc3)[nH]2)c1.
What is the InChIKey of 4-chloro-N-nonyl-3-(5-phenyl-1H-imidazol-2-yl)aniline?
The InChIKey is KGRARHWLYHCYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3/c1-2-3-4-5-6-7-11-16-26-20-14-15-22(25)21(17-20)24-27-18-23(28-24)19-12-9-8-10-13-19/h8-10,12-15,17-18,26H,2-7,11,16H2,1H3,(H,27,28).
What are the key properties of 4-chloro-N-nonyl-3-(5-phenyl-1H-imidazol-2-yl)aniline?
4-chloro-N-nonyl-3-(5-phenyl-1H-imidazol-2-yl)aniline has a molecular weight of 395.98 g/mol, XLogP of 7.56, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-nonyl-3-(5-phenyl-1H-imidazol-2-yl)aniline is sourced from PubChem (CID 162063457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).