1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-3-(3-methylphenyl)urea

C24H33N5O2 — CID 145462208

IUPAC1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCc2ccc(CN3C(=O)C(C)(CC(C)C)NC3N)cc2)c1
InChIInChI=1S/C24H33N5O2/c1-16(2)13-24(4)21(30)29(22(25)28-24)15-19-10-8-18(9-11-19)14-26-23(31)27-20-7-5-6-17(3)12-20/h5-12,16,22,28H,13-15,25H2,1-4H3,(H2,26,27,31)
InChIKeyUAIIDQHIEWHIIH-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.30
Rot. Bonds7

About 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-3-(3-methylphenyl)urea

1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-3-(3-methylphenyl)urea (PubChem CID 145462208) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-3-(3-methylphenyl)urea
PubChem CID145462208
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCc2ccc(CN3C(=O)C(C)(CC(C)C)NC3N)cc2)c1
InChIInChI=1S/C24H33N5O2/c1-16(2)13-24(4)21(30)29(22(25)28-24)15-19-10-8-18(9-11-19)14-26-23(31)27-20-7-5-6-17(3)12-20/h5-12,16,22,28H,13-15,25H2,1-4H3,(H2,26,27,31)
InChIKeyUAIIDQHIEWHIIH-UHFFFAOYSA-N
XLogP3.30
TPSA99.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-ethoxyphenyl)methyl]-3-(3-methylphenyl)urea
CID 108884386
2-[(3-methylphenyl)carbamoylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 38743284
2-[(3-methylphenyl)carbamoylamino]acetamide
CID 47122532
1-(3-aminophenyl)-3-[(3-methylphenyl)methyl]urea
CID 54944882
1-(2-hydroxy-4-methylpentyl)-3-(3-methylphenyl)urea
CID 110909846
1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104
N-[[4-(carbamoylamino)phenyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 55677891
1-(3-methylphenyl)-3-[(6-oxo-1H-pyridin-2-yl)methyl]urea
CID 75444052
1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
CID 47154197
1-(3-methyl-2-oxobutyl)-3-(3-methylphenyl)urea
CID 64994342
1-(3-methylphenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916197
1-[(3-methylphenyl)methyl]-3-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108872734

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-3-(3-methylphenyl)urea (CID 145462208) is 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)NCc2ccc(CN3C(=O)C(C)(CC(C)C)NC3N)cc2)c1.
What is the InChIKey of 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-3-(3-methylphenyl)urea?
The InChIKey is UAIIDQHIEWHIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-16(2)13-24(4)21(30)29(22(25)28-24)15-19-10-8-18(9-11-19)14-26-23(31)27-20-7-5-6-17(3)12-20/h5-12,16,22,28H,13-15,25H2,1-4H3,(H2,26,27,31).
What are the key properties of 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-3-(3-methylphenyl)urea?
1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-3-(3-methylphenyl)urea has a molecular weight of 423.56 g/mol, XLogP of 3.30, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl]phenyl]methyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 145462208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).