1-[(4-imidazol-1-ylphenyl)methyl]azocane

C17H23N3 — CID 167953311

IUPAC1-[(4-imidazol-1-ylphenyl)methyl]azocane
SMILESc1cn(-c2ccc(CN3CCCCCCC3)cc2)cn1
InChIInChI=1S/C17H23N3/c1-2-4-11-19(12-5-3-1)14-16-6-8-17(9-7-16)20-13-10-18-15-20/h6-10,13,15H,1-5,11-12,14H2
InChIKeyAKZASFKLQWPSFN-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.64
Rot. Bonds3

About 1-[(4-imidazol-1-ylphenyl)methyl]azocane

1-[(4-imidazol-1-ylphenyl)methyl]azocane (PubChem CID 167953311) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[(4-imidazol-1-ylphenyl)methyl]azocane.

Molecular Properties

Compound Name1-[(4-imidazol-1-ylphenyl)methyl]azocane
PubChem CID167953311
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-[(4-imidazol-1-ylphenyl)methyl]azocane
SMILESc1cn(-c2ccc(CN3CCCCCCC3)cc2)cn1
InChIInChI=1S/C17H23N3/c1-2-4-11-19(12-5-3-1)14-16-6-8-17(9-7-16)20-13-10-18-15-20/h6-10,13,15H,1-5,11-12,14H2
InChIKeyAKZASFKLQWPSFN-UHFFFAOYSA-N
XLogP3.64
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethylpiperazine
CID 63874840
2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728732
1-[(4-imidazol-1-ylphenyl)methyl]-4-(2-methylphenyl)piperazine
CID 112801173
N-[(4-imidazol-1-ylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 51086166
[4-[(4-imidazol-1-ylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 75402169
(3S)-1-[(4-imidazol-1-ylphenyl)methyl]-3-methylpiperazine
CID 103885713
2-[(4-imidazol-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908652
1-[(4-imidazol-1-ylphenyl)methyl]triazol-4-amine
CID 79543265
N-[(4-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 92680753
azepan-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 110464231
1-[1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole
CID 56905482
(2S)-1-[(2S)-4-[(4-imidazol-1-ylphenyl)methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 98768736

Frequently Asked Questions

What is the IUPAC name of 1-[(4-imidazol-1-ylphenyl)methyl]azocane?
The IUPAC name of 1-[(4-imidazol-1-ylphenyl)methyl]azocane (CID 167953311) is 1-[(4-imidazol-1-ylphenyl)methyl]azocane.
What is the SMILES notation for 1-[(4-imidazol-1-ylphenyl)methyl]azocane?
The canonical SMILES for 1-[(4-imidazol-1-ylphenyl)methyl]azocane is c1cn(-c2ccc(CN3CCCCCCC3)cc2)cn1.
What is the InChIKey of 1-[(4-imidazol-1-ylphenyl)methyl]azocane?
The InChIKey is AKZASFKLQWPSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-4-11-19(12-5-3-1)14-16-6-8-17(9-7-16)20-13-10-18-15-20/h6-10,13,15H,1-5,11-12,14H2.
What are the key properties of 1-[(4-imidazol-1-ylphenyl)methyl]azocane?
1-[(4-imidazol-1-ylphenyl)methyl]azocane has a molecular weight of 269.39 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-imidazol-1-ylphenyl)methyl]azocane is sourced from PubChem (CID 167953311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).