2-(5-tert-butyl-1H-imidazol-2-yl)azepane

C13H23N3 — CID 64570176

IUPAC2-(5-tert-butyl-1H-imidazol-2-yl)azepane
SMILESCC(C)(C)c1cnc(C2CCCCCN2)[nH]1
InChIInChI=1S/C13H23N3/c1-13(2,3)11-9-15-12(16-11)10-7-5-4-6-8-14-10/h9-10,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyYKLZQJWTSLZMHA-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.91
Rot. Bonds1

About 2-(5-tert-butyl-1H-imidazol-2-yl)azepane

2-(5-tert-butyl-1H-imidazol-2-yl)azepane (PubChem CID 64570176) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-(5-tert-butyl-1H-imidazol-2-yl)azepane.

Molecular Properties

Compound Name2-(5-tert-butyl-1H-imidazol-2-yl)azepane
PubChem CID64570176
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-(5-tert-butyl-1H-imidazol-2-yl)azepane
SMILESCC(C)(C)c1cnc(C2CCCCCN2)[nH]1
InChIInChI=1S/C13H23N3/c1-13(2,3)11-9-15-12(16-11)10-7-5-4-6-8-14-10/h9-10,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyYKLZQJWTSLZMHA-UHFFFAOYSA-N
XLogP2.91
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-2-[(2R)-pyrrolidin-2-yl]-1H-imidazole
CID 93255768
5-tert-butyl-2-pyrrolidin-2-yl-1H-imidazole
CID 43650696
2-[(2R)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazole;dihydrochloride
CID 167720492
3-(5-tert-butyl-1H-imidazol-2-yl)-1-methylpiperazine
CID 116881114
(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)piperidine
CID 93256100
2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]piperidine
CID 43651095
2-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]azepane
CID 83124606
2-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]azepane
CID 64570784
2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]piperidine
CID 43651056
2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43651125
2-(2-piperidin-2-yl-1H-imidazol-5-yl)-1,3-thiazole
CID 64992969
2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]piperidine
CID 43651094

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1H-imidazol-2-yl)azepane?
The IUPAC name of 2-(5-tert-butyl-1H-imidazol-2-yl)azepane (CID 64570176) is 2-(5-tert-butyl-1H-imidazol-2-yl)azepane.
What is the SMILES notation for 2-(5-tert-butyl-1H-imidazol-2-yl)azepane?
The canonical SMILES for 2-(5-tert-butyl-1H-imidazol-2-yl)azepane is CC(C)(C)c1cnc(C2CCCCCN2)[nH]1.
What is the InChIKey of 2-(5-tert-butyl-1H-imidazol-2-yl)azepane?
The InChIKey is YKLZQJWTSLZMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-13(2,3)11-9-15-12(16-11)10-7-5-4-6-8-14-10/h9-10,14H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-(5-tert-butyl-1H-imidazol-2-yl)azepane?
2-(5-tert-butyl-1H-imidazol-2-yl)azepane has a molecular weight of 221.35 g/mol, XLogP of 2.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1H-imidazol-2-yl)azepane is sourced from PubChem (CID 64570176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).