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

C17H24N2O — CID 19897022

IUPAC4-(4-hexylphenyl)-3,5-dimethyl-1H-imidazol-2-one
SMILESCCCCCCc1ccc(-c2c(C)[nH]c(=O)n2C)cc1
InChIInChI=1S/C17H24N2O/c1-4-5-6-7-8-14-9-11-15(12-10-14)16-13(2)18-17(20)19(16)3/h9-12H,4-8H2,1-3H3,(H,18,20)
InChIKeyGKQFSXDMJWRPFW-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.81
Rot. Bonds6

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

4-(4-hexylphenyl)-3,5-dimethyl-1H-imidazol-2-one (PubChem CID 19897022) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-(4-hexylphenyl)-3,5-dimethyl-1H-imidazol-2-one.

Molecular Properties

Compound Name4-(4-hexylphenyl)-3,5-dimethyl-1H-imidazol-2-one
PubChem CID19897022
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-(4-hexylphenyl)-3,5-dimethyl-1H-imidazol-2-one
SMILESCCCCCCc1ccc(-c2c(C)[nH]c(=O)n2C)cc1
InChIInChI=1S/C17H24N2O/c1-4-5-6-7-8-14-9-11-15(12-10-14)16-13(2)18-17(20)19(16)3/h9-12H,4-8H2,1-3H3,(H,18,20)
InChIKeyGKQFSXDMJWRPFW-UHFFFAOYSA-N
XLogP3.81
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hexylphenyl)-3,5-dimethyl-1H-imidazol-2-one?
The IUPAC name of 4-(4-hexylphenyl)-3,5-dimethyl-1H-imidazol-2-one (CID 19897022) is 4-(4-hexylphenyl)-3,5-dimethyl-1H-imidazol-2-one.
What is the SMILES notation for 4-(4-hexylphenyl)-3,5-dimethyl-1H-imidazol-2-one?
The canonical SMILES for 4-(4-hexylphenyl)-3,5-dimethyl-1H-imidazol-2-one is CCCCCCc1ccc(-c2c(C)[nH]c(=O)n2C)cc1.
What is the InChIKey of 4-(4-hexylphenyl)-3,5-dimethyl-1H-imidazol-2-one?
The InChIKey is GKQFSXDMJWRPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-4-5-6-7-8-14-9-11-15(12-10-14)16-13(2)18-17(20)19(16)3/h9-12H,4-8H2,1-3H3,(H,18,20).
What are the key properties of 4-(4-hexylphenyl)-3,5-dimethyl-1H-imidazol-2-one?
4-(4-hexylphenyl)-3,5-dimethyl-1H-imidazol-2-one has a molecular weight of 272.39 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hexylphenyl)-3,5-dimethyl-1H-imidazol-2-one is sourced from PubChem (CID 19897022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).