1-(cycloheptylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole

C22H34N4 — CID 57295333

IUPAC1-(cycloheptylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole
SMILESc1cn(CCC2CCCCC2)c(-c2nccn2CC2CCCCCC2)n1
InChIInChI=1S/C22H34N4/c1-2-5-11-20(10-4-1)18-26-17-14-24-22(26)21-23-13-16-25(21)15-12-19-8-6-3-7-9-19/h13-14,16-17,19-20H,1-12,15,18H2
InChIKeySNRONMYBMOWBKD-UHFFFAOYSA-N
MW354.54 g/mol
LogP5.69
Rot. Bonds6

About 1-(cycloheptylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole

1-(cycloheptylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole (PubChem CID 57295333) has the molecular formula C22H34N4 and a molecular weight of 354.54 g/mol. Its IUPAC name is 1-(cycloheptylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole.

Molecular Properties

Compound Name1-(cycloheptylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole
PubChem CID57295333
Molecular FormulaC22H34N4
Molecular Weight354.54 g/mol
Exact Mass354.28
IUPAC Name1-(cycloheptylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole
SMILESc1cn(CCC2CCCCC2)c(-c2nccn2CC2CCCCCC2)n1
InChIInChI=1S/C22H34N4/c1-2-5-11-20(10-4-1)18-26-17-14-24-22(26)21-23-13-16-25(21)15-12-19-8-6-3-7-9-19/h13-14,16-17,19-20H,1-12,15,18H2
InChIKeySNRONMYBMOWBKD-UHFFFAOYSA-N
XLogP5.69
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cycloheptylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole?
The IUPAC name of 1-(cycloheptylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole (CID 57295333) is 1-(cycloheptylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole.
What is the SMILES notation for 1-(cycloheptylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole?
The canonical SMILES for 1-(cycloheptylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole is c1cn(CCC2CCCCC2)c(-c2nccn2CC2CCCCCC2)n1.
What is the InChIKey of 1-(cycloheptylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole?
The InChIKey is SNRONMYBMOWBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4/c1-2-5-11-20(10-4-1)18-26-17-14-24-22(26)21-23-13-16-25(21)15-12-19-8-6-3-7-9-19/h13-14,16-17,19-20H,1-12,15,18H2.
What are the key properties of 1-(cycloheptylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole?
1-(cycloheptylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole has a molecular weight of 354.54 g/mol, XLogP of 5.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloheptylmethyl)-2-[1-(2-cyclohexylethyl)imidazol-2-yl]imidazole is sourced from PubChem (CID 57295333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).