5-benzyl-4-(2-methylpropyl)-1-phenyl-3-propylimidazol-2-one

C23H28N2O — CID 53388584

IUPAC5-benzyl-4-(2-methylpropyl)-1-phenyl-3-propylimidazol-2-one
SMILESCCCn1c(CC(C)C)c(Cc2ccccc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C23H28N2O/c1-4-15-24-21(16-18(2)3)22(17-19-11-7-5-8-12-19)25(23(24)26)20-13-9-6-10-14-20/h5-14,18H,4,15-17H2,1-3H3
InChIKeyFAMNTPNQZABZNE-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.84
Rot. Bonds7

About 5-benzyl-4-(2-methylpropyl)-1-phenyl-3-propylimidazol-2-one

5-benzyl-4-(2-methylpropyl)-1-phenyl-3-propylimidazol-2-one (PubChem CID 53388584) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is 5-benzyl-4-(2-methylpropyl)-1-phenyl-3-propylimidazol-2-one.

Molecular Properties

Compound Name5-benzyl-4-(2-methylpropyl)-1-phenyl-3-propylimidazol-2-one
PubChem CID53388584
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name5-benzyl-4-(2-methylpropyl)-1-phenyl-3-propylimidazol-2-one
SMILESCCCn1c(CC(C)C)c(Cc2ccccc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C23H28N2O/c1-4-15-24-21(16-18(2)3)22(17-19-11-7-5-8-12-19)25(23(24)26)20-13-9-6-10-14-20/h5-14,18H,4,15-17H2,1-3H3
InChIKeyFAMNTPNQZABZNE-UHFFFAOYSA-N
XLogP4.84
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-benzyl-1,3-dihexyl-5-propan-2-ylpyrimidine-2,4-dione
CID 142656419
6-benzyl-5-ethyl-1,3-dipentylpyrimidine-2,4-dione
CID 142656479
5,6-dibenzyl-1,3-dihexylpyrimidine-2,4-dione
CID 142656477
5-benzyl-4-methyl-1-propylpyrrole-2-carboxylic acid
CID 140700356
4-phenyl-1-propyl-1,2,4-triazolidine-3,5-dione
CID 121221372
1,4-dibenzyl-3-cyclopropyl-5-(2-methylpropyl)imidazole-2-thione
CID 139044352
6-benzyl-5-ethyl-1,3-bis(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 142656493
5-benzyl-1-methyl-6-propan-2-yloxy-3-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 145017403
1,5-dibenzyl-6-hydroxy-3-phenylpyrimidine-2,4-dione
CID 90362075
6-benzyl-5-ethyl-1-pentylpyrimidine-2,4-dione
CID 142656446
methane;2-methylpropylbenzene;pentane
CID 162015938
6-benzyl-3-hexyl-1-(methoxymethyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 142656467

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-(2-methylpropyl)-1-phenyl-3-propylimidazol-2-one?
The IUPAC name of 5-benzyl-4-(2-methylpropyl)-1-phenyl-3-propylimidazol-2-one (CID 53388584) is 5-benzyl-4-(2-methylpropyl)-1-phenyl-3-propylimidazol-2-one.
What is the SMILES notation for 5-benzyl-4-(2-methylpropyl)-1-phenyl-3-propylimidazol-2-one?
The canonical SMILES for 5-benzyl-4-(2-methylpropyl)-1-phenyl-3-propylimidazol-2-one is CCCn1c(CC(C)C)c(Cc2ccccc2)n(-c2ccccc2)c1=O.
What is the InChIKey of 5-benzyl-4-(2-methylpropyl)-1-phenyl-3-propylimidazol-2-one?
The InChIKey is FAMNTPNQZABZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-4-15-24-21(16-18(2)3)22(17-19-11-7-5-8-12-19)25(23(24)26)20-13-9-6-10-14-20/h5-14,18H,4,15-17H2,1-3H3.
What are the key properties of 5-benzyl-4-(2-methylpropyl)-1-phenyl-3-propylimidazol-2-one?
5-benzyl-4-(2-methylpropyl)-1-phenyl-3-propylimidazol-2-one has a molecular weight of 348.49 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-(2-methylpropyl)-1-phenyl-3-propylimidazol-2-one is sourced from PubChem (CID 53388584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).