5-(4-butylphenyl)-3-cyclohexyl-4-methyl-1H-imidazol-2-one

C20H28N2O — CID 19897013

IUPAC5-(4-butylphenyl)-3-cyclohexyl-4-methyl-1H-imidazol-2-one
SMILESCCCCc1ccc(-c2[nH]c(=O)n(C3CCCCC3)c2C)cc1
InChIInChI=1S/C20H28N2O/c1-3-4-8-16-11-13-17(14-12-16)19-15(2)22(20(23)21-19)18-9-6-5-7-10-18/h11-14,18H,3-10H2,1-2H3,(H,21,23)
InChIKeyUOQUBDMNIJXLFA-UHFFFAOYSA-N
MW312.46 g/mol
LogP5.00
Rot. Bonds5

About 5-(4-butylphenyl)-3-cyclohexyl-4-methyl-1H-imidazol-2-one

5-(4-butylphenyl)-3-cyclohexyl-4-methyl-1H-imidazol-2-one (PubChem CID 19897013) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 5-(4-butylphenyl)-3-cyclohexyl-4-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(4-butylphenyl)-3-cyclohexyl-4-methyl-1H-imidazol-2-one
PubChem CID19897013
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name5-(4-butylphenyl)-3-cyclohexyl-4-methyl-1H-imidazol-2-one
SMILESCCCCc1ccc(-c2[nH]c(=O)n(C3CCCCC3)c2C)cc1
InChIInChI=1S/C20H28N2O/c1-3-4-8-16-11-13-17(14-12-16)19-15(2)22(20(23)21-19)18-9-6-5-7-10-18/h11-14,18H,3-10H2,1-2H3,(H,21,23)
InChIKeyUOQUBDMNIJXLFA-UHFFFAOYSA-N
XLogP5.00
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-butylphenyl)-3-cyclohexyl-4-methyl-1H-imidazol-2-one?
The IUPAC name of 5-(4-butylphenyl)-3-cyclohexyl-4-methyl-1H-imidazol-2-one (CID 19897013) is 5-(4-butylphenyl)-3-cyclohexyl-4-methyl-1H-imidazol-2-one.
What is the SMILES notation for 5-(4-butylphenyl)-3-cyclohexyl-4-methyl-1H-imidazol-2-one?
The canonical SMILES for 5-(4-butylphenyl)-3-cyclohexyl-4-methyl-1H-imidazol-2-one is CCCCc1ccc(-c2[nH]c(=O)n(C3CCCCC3)c2C)cc1.
What is the InChIKey of 5-(4-butylphenyl)-3-cyclohexyl-4-methyl-1H-imidazol-2-one?
The InChIKey is UOQUBDMNIJXLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-3-4-8-16-11-13-17(14-12-16)19-15(2)22(20(23)21-19)18-9-6-5-7-10-18/h11-14,18H,3-10H2,1-2H3,(H,21,23).
What are the key properties of 5-(4-butylphenyl)-3-cyclohexyl-4-methyl-1H-imidazol-2-one?
5-(4-butylphenyl)-3-cyclohexyl-4-methyl-1H-imidazol-2-one has a molecular weight of 312.46 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylphenyl)-3-cyclohexyl-4-methyl-1H-imidazol-2-one is sourced from PubChem (CID 19897013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).