1,3-bis(2-cyclohexylethyl)-2H-imidazole

C19H34N2 — CID 175923760

IUPAC1,3-bis(2-cyclohexylethyl)-2H-imidazole
SMILESC1=CN(CCC2CCCCC2)CN1CCC1CCCCC1
InChIInChI=1S/C19H34N2/c1-3-7-18(8-4-1)11-13-20-15-16-21(17-20)14-12-19-9-5-2-6-10-19/h15-16,18-19H,1-14,17H2
InChIKeyDFWZXEUJIHHPQX-UHFFFAOYSA-N
MW290.49 g/mol
LogP4.97
Rot. Bonds6

About 1,3-bis(2-cyclohexylethyl)-2H-imidazole

1,3-bis(2-cyclohexylethyl)-2H-imidazole (PubChem CID 175923760) has the molecular formula C19H34N2 and a molecular weight of 290.49 g/mol. Its IUPAC name is 1,3-bis(2-cyclohexylethyl)-2H-imidazole.

Molecular Properties

Compound Name1,3-bis(2-cyclohexylethyl)-2H-imidazole
PubChem CID175923760
Molecular FormulaC19H34N2
Molecular Weight290.49 g/mol
Exact Mass290.27
IUPAC Name1,3-bis(2-cyclohexylethyl)-2H-imidazole
SMILESC1=CN(CCC2CCCCC2)CN1CCC1CCCCC1
InChIInChI=1S/C19H34N2/c1-3-7-18(8-4-1)11-13-20-15-16-21(17-20)14-12-19-9-5-2-6-10-19/h15-16,18-19H,1-14,17H2
InChIKeyDFWZXEUJIHHPQX-UHFFFAOYSA-N
XLogP4.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.49
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-cyclohexylethyl)-2H-imidazole?
The IUPAC name of 1,3-bis(2-cyclohexylethyl)-2H-imidazole (CID 175923760) is 1,3-bis(2-cyclohexylethyl)-2H-imidazole.
What is the SMILES notation for 1,3-bis(2-cyclohexylethyl)-2H-imidazole?
The canonical SMILES for 1,3-bis(2-cyclohexylethyl)-2H-imidazole is C1=CN(CCC2CCCCC2)CN1CCC1CCCCC1.
What is the InChIKey of 1,3-bis(2-cyclohexylethyl)-2H-imidazole?
The InChIKey is DFWZXEUJIHHPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-3-7-18(8-4-1)11-13-20-15-16-21(17-20)14-12-19-9-5-2-6-10-19/h15-16,18-19H,1-14,17H2.
What are the key properties of 1,3-bis(2-cyclohexylethyl)-2H-imidazole?
1,3-bis(2-cyclohexylethyl)-2H-imidazole has a molecular weight of 290.49 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-cyclohexylethyl)-2H-imidazole is sourced from PubChem (CID 175923760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).