4-(4-butylphenyl)-3,5-dimethyl-1H-imidazol-2-one

C15H20N2O — CID 19897014

IUPAC4-(4-butylphenyl)-3,5-dimethyl-1H-imidazol-2-one
SMILESCCCCc1ccc(-c2c(C)[nH]c(=O)n2C)cc1
InChIInChI=1S/C15H20N2O/c1-4-5-6-12-7-9-13(10-8-12)14-11(2)16-15(18)17(14)3/h7-10H,4-6H2,1-3H3,(H,16,18)
InChIKeyYRAYEMXOBPSIJZ-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.03
Rot. Bonds4

About 4-(4-butylphenyl)-3,5-dimethyl-1H-imidazol-2-one

4-(4-butylphenyl)-3,5-dimethyl-1H-imidazol-2-one (PubChem CID 19897014) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-(4-butylphenyl)-3,5-dimethyl-1H-imidazol-2-one.

Molecular Properties

Compound Name4-(4-butylphenyl)-3,5-dimethyl-1H-imidazol-2-one
PubChem CID19897014
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-(4-butylphenyl)-3,5-dimethyl-1H-imidazol-2-one
SMILESCCCCc1ccc(-c2c(C)[nH]c(=O)n2C)cc1
InChIInChI=1S/C15H20N2O/c1-4-5-6-12-7-9-13(10-8-12)14-11(2)16-15(18)17(14)3/h7-10H,4-6H2,1-3H3,(H,16,18)
InChIKeyYRAYEMXOBPSIJZ-UHFFFAOYSA-N
XLogP3.03
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-butylphenyl)-3,5-dimethyl-1H-imidazol-2-one?
The IUPAC name of 4-(4-butylphenyl)-3,5-dimethyl-1H-imidazol-2-one (CID 19897014) is 4-(4-butylphenyl)-3,5-dimethyl-1H-imidazol-2-one.
What is the SMILES notation for 4-(4-butylphenyl)-3,5-dimethyl-1H-imidazol-2-one?
The canonical SMILES for 4-(4-butylphenyl)-3,5-dimethyl-1H-imidazol-2-one is CCCCc1ccc(-c2c(C)[nH]c(=O)n2C)cc1.
What is the InChIKey of 4-(4-butylphenyl)-3,5-dimethyl-1H-imidazol-2-one?
The InChIKey is YRAYEMXOBPSIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-4-5-6-12-7-9-13(10-8-12)14-11(2)16-15(18)17(14)3/h7-10H,4-6H2,1-3H3,(H,16,18).
What are the key properties of 4-(4-butylphenyl)-3,5-dimethyl-1H-imidazol-2-one?
4-(4-butylphenyl)-3,5-dimethyl-1H-imidazol-2-one has a molecular weight of 244.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylphenyl)-3,5-dimethyl-1H-imidazol-2-one is sourced from PubChem (CID 19897014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).