N-hex-5-en-2-yl-4-(1H-imidazol-5-yl)aniline

C15H19N3 — CID 113437865

IUPACN-hex-5-en-2-yl-4-(1H-imidazol-5-yl)aniline
SMILESC=CCCC(C)Nc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C15H19N3/c1-3-4-5-12(2)18-14-8-6-13(7-9-14)15-10-16-11-17-15/h3,6-12,18H,1,4-5H2,2H3,(H,16,17)
InChIKeySDXVIHMTHQHORC-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.84
Rot. Bonds6

About N-hex-5-en-2-yl-4-(1H-imidazol-5-yl)aniline

N-hex-5-en-2-yl-4-(1H-imidazol-5-yl)aniline (PubChem CID 113437865) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-hex-5-en-2-yl-4-(1H-imidazol-5-yl)aniline.

Molecular Properties

Compound NameN-hex-5-en-2-yl-4-(1H-imidazol-5-yl)aniline
PubChem CID113437865
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-hex-5-en-2-yl-4-(1H-imidazol-5-yl)aniline
SMILESC=CCCC(C)Nc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C15H19N3/c1-3-4-5-12(2)18-14-8-6-13(7-9-14)15-10-16-11-17-15/h3,6-12,18H,1,4-5H2,2H3,(H,16,17)
InChIKeySDXVIHMTHQHORC-UHFFFAOYSA-N
XLogP3.84
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Dexmedetomidine Hydrochloride
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Detomidine Hydrochloride
CID 56031
Medetomidine Hydrochloride
CID 68601
5-Methylbenzimidazole
CID 11979
Mifentidine
CID 71263
4-Phenylimidazole
CID 69590
4-(4-Chlorophenyl)Imidazole
CID 448632
2-Phenylimidazole
CID 69591
2-(3-Trifluoromethylphenyl)histamine
CID 5310982

Frequently Asked Questions

What is the IUPAC name of N-hex-5-en-2-yl-4-(1H-imidazol-5-yl)aniline?
The IUPAC name of N-hex-5-en-2-yl-4-(1H-imidazol-5-yl)aniline (CID 113437865) is N-hex-5-en-2-yl-4-(1H-imidazol-5-yl)aniline.
What is the SMILES notation for N-hex-5-en-2-yl-4-(1H-imidazol-5-yl)aniline?
The canonical SMILES for N-hex-5-en-2-yl-4-(1H-imidazol-5-yl)aniline is C=CCCC(C)Nc1ccc(-c2cnc[nH]2)cc1.
What is the InChIKey of N-hex-5-en-2-yl-4-(1H-imidazol-5-yl)aniline?
The InChIKey is SDXVIHMTHQHORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-3-4-5-12(2)18-14-8-6-13(7-9-14)15-10-16-11-17-15/h3,6-12,18H,1,4-5H2,2H3,(H,16,17).
What are the key properties of N-hex-5-en-2-yl-4-(1H-imidazol-5-yl)aniline?
N-hex-5-en-2-yl-4-(1H-imidazol-5-yl)aniline has a molecular weight of 241.34 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-en-2-yl-4-(1H-imidazol-5-yl)aniline is sourced from PubChem (CID 113437865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).