1-(cyclohex-3-en-1-ylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole

C21H30N4 — CID 57142141

IUPAC1-(cyclohex-3-en-1-ylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole
SMILESC1=CCC(Cn2ccnc2-c2nccn2CCC2CCCCC2)CC1
InChIInChI=1S/C21H30N4/c1-3-7-18(8-4-1)11-14-24-15-12-22-20(24)21-23-13-16-25(21)17-19-9-5-2-6-10-19/h2,5,12-13,15-16,18-19H,1,3-4,6-11,14,17H2
InChIKeyKWRZRCAZFZZSKU-UHFFFAOYSA-N
MW338.50 g/mol
LogP5.07
Rot. Bonds6

About 1-(cyclohex-3-en-1-ylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole

1-(cyclohex-3-en-1-ylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole (PubChem CID 57142141) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole
PubChem CID57142141
Molecular FormulaC21H30N4
Molecular Weight338.50 g/mol
Exact Mass338.25
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole
SMILESC1=CCC(Cn2ccnc2-c2nccn2CCC2CCCCC2)CC1
InChIInChI=1S/C21H30N4/c1-3-7-18(8-4-1)11-14-24-15-12-22-20(24)21-23-13-16-25(21)17-19-9-5-2-6-10-19/h2,5,12-13,15-16,18-19H,1,3-4,6-11,14,17H2
InChIKeyKWRZRCAZFZZSKU-UHFFFAOYSA-N
XLogP5.07
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.50
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole (CID 57142141) is 1-(cyclohex-3-en-1-ylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole is C1=CCC(Cn2ccnc2-c2nccn2CCC2CCCCC2)CC1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole?
The InChIKey is KWRZRCAZFZZSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4/c1-3-7-18(8-4-1)11-14-24-15-12-22-20(24)21-23-13-16-25(21)17-19-9-5-2-6-10-19/h2,5,12-13,15-16,18-19H,1,3-4,6-11,14,17H2.
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole?
1-(cyclohex-3-en-1-ylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole has a molecular weight of 338.50 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole is sourced from PubChem (CID 57142141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).