4-(1-cyclohexylethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole

C15H23N5 — CID 51354586

IUPAC4-(1-cyclohexylethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole
SMILESCC(c1cn(CCc2cnc[nH]2)nn1)C1CCCCC1
InChIInChI=1S/C15H23N5/c1-12(13-5-3-2-4-6-13)15-10-20(19-18-15)8-7-14-9-16-11-17-14/h9-13H,2-8H2,1H3,(H,16,17)
InChIKeyPLWRIVWTXYHFIP-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.93
Rot. Bonds5

About 4-(1-cyclohexylethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole

4-(1-cyclohexylethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole (PubChem CID 51354586) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-(1-cyclohexylethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole.

Molecular Properties

Compound Name4-(1-cyclohexylethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole
PubChem CID51354586
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name4-(1-cyclohexylethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole
SMILESCC(c1cn(CCc2cnc[nH]2)nn1)C1CCCCC1
InChIInChI=1S/C15H23N5/c1-12(13-5-3-2-4-6-13)15-10-20(19-18-15)8-7-14-9-16-11-17-14/h9-13H,2-8H2,1H3,(H,16,17)
InChIKeyPLWRIVWTXYHFIP-UHFFFAOYSA-N
XLogP2.93
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-((2R,3S)-2-Methyl-pyrrolidin-3-yl)-1H-imidazole
CID 9815231
4-[3-(1h-Imidazol-4-yl)propyl]piperidine
CID 10330240
4-(cyclohexylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole
CID 51354300
4-((2S,3R)-2-Methyl-pyrrolidin-3-yl)-1H-imidazole
CID 10329450
(S)-4-(Pyrrolidin-3-ylmethyl)-1H-imidazole
CID 44367568
4-(cyclohexylmethyl)-1H-imidazole
CID 9793921
4-((3R,4R)-4-methylpyrrolidin-3-yl)-1H-imidazole
CID 9815232
5-[(pyrrolidin-3-yl)methyl]-1H-imidazole
CID 11819221
5-(pyrrolidin-3-yl)-1H-imidazole
CID 19041233
4-((3S,4R)-4-Methyl-pyrrolidin-3-yl)-1H-imidazole
CID 44461842
4-(cyclopentylmethyl)-1-[3-(1H-imidazol-5-yl)propyl]triazole
CID 51354584
N-Cyclohexylmethyl-N''-[3-(1H-imidazol-4-yl)-propyl]-guanidine
CID 10332982

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclohexylethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole?
The IUPAC name of 4-(1-cyclohexylethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole (CID 51354586) is 4-(1-cyclohexylethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole.
What is the SMILES notation for 4-(1-cyclohexylethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole?
The canonical SMILES for 4-(1-cyclohexylethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole is CC(c1cn(CCc2cnc[nH]2)nn1)C1CCCCC1.
What is the InChIKey of 4-(1-cyclohexylethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole?
The InChIKey is PLWRIVWTXYHFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-12(13-5-3-2-4-6-13)15-10-20(19-18-15)8-7-14-9-16-11-17-14/h9-13H,2-8H2,1H3,(H,16,17).
What are the key properties of 4-(1-cyclohexylethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole?
4-(1-cyclohexylethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole has a molecular weight of 273.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclohexylethyl)-1-[2-(1H-imidazol-5-yl)ethyl]triazole is sourced from PubChem (CID 51354586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).