3-[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N-methyl-N-(2-phenylethyl)propanamide

C27H36N4O2 — CID 58425093

IUPAC3-[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N-methyl-N-(2-phenylethyl)propanamide
SMILESCC(C)CC1(C)N=C(N)N(Cc2ccc(CCC(=O)N(C)CCc3ccccc3)cc2)C1=O
InChIInChI=1S/C27H36N4O2/c1-20(2)18-27(3)25(33)31(26(28)29-27)19-23-12-10-22(11-13-23)14-15-24(32)30(4)17-16-21-8-6-5-7-9-21/h5-13,20H,14-19H2,1-4H3,(H2,28,29)
InChIKeyJRPMIPFCWLMPSD-UHFFFAOYSA-N
MW448.61 g/mol
LogP3.78
Rot. Bonds10

About 3-[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N-methyl-N-(2-phenylethyl)propanamide

3-[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N-methyl-N-(2-phenylethyl)propanamide (PubChem CID 58425093) has the molecular formula C27H36N4O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is 3-[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N-methyl-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N-methyl-N-(2-phenylethyl)propanamide
PubChem CID58425093
Molecular FormulaC27H36N4O2
Molecular Weight448.61 g/mol
Exact Mass448.28
IUPAC Name3-[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N-methyl-N-(2-phenylethyl)propanamide
SMILESCC(C)CC1(C)N=C(N)N(Cc2ccc(CCC(=O)N(C)CCc3ccccc3)cc2)C1=O
InChIInChI=1S/C27H36N4O2/c1-20(2)18-27(3)25(33)31(26(28)29-27)19-23-12-10-22(11-13-23)14-15-24(32)30(4)17-16-21-8-6-5-7-9-21/h5-13,20H,14-19H2,1-4H3,(H2,28,29)
InChIKeyJRPMIPFCWLMPSD-UHFFFAOYSA-N
XLogP3.78
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-methyl-5-(2-methylpropyl)-3-[[4-(2-oxo-4-phenylbutyl)phenyl]methyl]imidazol-4-one
CID 58425126
1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-[(E)-2-phenylprop-1-enyl]urea
CID 163620731
2-amino-5-methyl-5-(2-methylpropyl)-3-[[3-(2-oxohexyl)phenyl]methyl]imidazol-4-one
CID 58425166
N-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]propane-1-sulfonohydrazide
CID 118911465
2-amino-5-methyl-5-(2-methylpropyl)-3-[[3-[2-(4-pentylphenyl)sulfonylethyl]phenyl]methyl]imidazol-4-one
CID 70118336
1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-(1-cyclohexa-1,3-dien-1-ylethyl)urea
CID 163863509
2-amino-3-[(3-chlorophenyl)methyl]-5-methyl-5-(3-oxo-6-phenylhexyl)imidazol-4-one
CID 58425289
2-amino-3-[(3-chlorophenyl)methyl]-5-[5-(3-fluorophenyl)-3-oxopentyl]-5-methylimidazol-4-one
CID 58425050
6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid
CID 23043994
1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-3-fluorophenyl]methyl]-3-(3-aminophenyl)urea
CID 70141504
N-methyl-N-(3-methylbutyl)-3-pyridin-4-ylpropanamide
CID 78897799
N-(5-chloropentyl)-N-methyl-3-phenylpropanamide
CID 107205755

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N-methyl-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N-methyl-N-(2-phenylethyl)propanamide (CID 58425093) is 3-[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N-methyl-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N-methyl-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N-methyl-N-(2-phenylethyl)propanamide is CC(C)CC1(C)N=C(N)N(Cc2ccc(CCC(=O)N(C)CCc3ccccc3)cc2)C1=O.
What is the InChIKey of 3-[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N-methyl-N-(2-phenylethyl)propanamide?
The InChIKey is JRPMIPFCWLMPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O2/c1-20(2)18-27(3)25(33)31(26(28)29-27)19-23-12-10-22(11-13-23)14-15-24(32)30(4)17-16-21-8-6-5-7-9-21/h5-13,20H,14-19H2,1-4H3,(H2,28,29).
What are the key properties of 3-[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N-methyl-N-(2-phenylethyl)propanamide?
3-[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N-methyl-N-(2-phenylethyl)propanamide has a molecular weight of 448.61 g/mol, XLogP of 3.78, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N-methyl-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 58425093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).