1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-3-fluorophenyl]methyl]-3-(3-aminophenyl)urea

C23H29FN6O2 — CID 70141504

IUPAC1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-3-fluorophenyl]methyl]-3-(3-aminophenyl)urea
SMILESCC(C)CC1(C)N=C(N)N(Cc2ccc(CNC(=O)Nc3cccc(N)c3)cc2F)C1=O
InChIInChI=1S/C23H29FN6O2/c1-14(2)11-23(3)20(31)30(21(26)29-23)13-16-8-7-15(9-19(16)24)12-27-22(32)28-18-6-4-5-17(25)10-18/h4-10,14H,11-13,25H2,1-3H3,(H2,26,29)(H2,27,28,32)
InChIKeyYSKTTXMYLWXFOB-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.19
Rot. Bonds7

About 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-3-fluorophenyl]methyl]-3-(3-aminophenyl)urea

1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-3-fluorophenyl]methyl]-3-(3-aminophenyl)urea (PubChem CID 70141504) has the molecular formula C23H29FN6O2 and a molecular weight of 440.52 g/mol. Its IUPAC name is 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-3-fluorophenyl]methyl]-3-(3-aminophenyl)urea.

Molecular Properties

Compound Name1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-3-fluorophenyl]methyl]-3-(3-aminophenyl)urea
PubChem CID70141504
Molecular FormulaC23H29FN6O2
Molecular Weight440.52 g/mol
Exact Mass440.23
IUPAC Name1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-3-fluorophenyl]methyl]-3-(3-aminophenyl)urea
SMILESCC(C)CC1(C)N=C(N)N(Cc2ccc(CNC(=O)Nc3cccc(N)c3)cc2F)C1=O
InChIInChI=1S/C23H29FN6O2/c1-14(2)11-23(3)20(31)30(21(26)29-23)13-16-8-7-15(9-19(16)24)12-27-22(32)28-18-6-4-5-17(25)10-18/h4-10,14H,11-13,25H2,1-3H3,(H2,26,29)(H2,27,28,32)
InChIKeyYSKTTXMYLWXFOB-UHFFFAOYSA-N
XLogP3.19
TPSA125.84 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-3-fluorophenyl]methyl]-3-(3-aminophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-[[4-[4-(2,3-dichlorophenyl)-3-oxobutyl]-3-fluorophenyl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one
CID 58425323
N-[3-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N'-(3,5-dichlorophenyl)propanediamide
CID 118017131
CID 145460572
CID 145460572
1-(3-aminophenyl)-3-[(3-methylphenyl)methyl]urea
CID 54944882
2-amino-3-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one
CID 162544157
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
1-[[4-[[2-amino-4-(cyclohexa-1,3-dien-1-ylmethyl)-4-methyl-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-(3-methoxyphenyl)urea
CID 70325803
1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-phenylurea
CID 63359762
1-[(3-fluorophenyl)methyl]-3-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]urea
CID 108872736
1-(3-cyanophenyl)-3-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]urea
CID 47070336
1-(3-aminophenyl)-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 62117941
1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-3-ium-1-yl]methyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea
CID 143244595

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-3-fluorophenyl]methyl]-3-(3-aminophenyl)urea?
The IUPAC name of 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-3-fluorophenyl]methyl]-3-(3-aminophenyl)urea (CID 70141504) is 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-3-fluorophenyl]methyl]-3-(3-aminophenyl)urea.
What is the SMILES notation for 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-3-fluorophenyl]methyl]-3-(3-aminophenyl)urea?
The canonical SMILES for 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-3-fluorophenyl]methyl]-3-(3-aminophenyl)urea is CC(C)CC1(C)N=C(N)N(Cc2ccc(CNC(=O)Nc3cccc(N)c3)cc2F)C1=O.
What is the InChIKey of 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-3-fluorophenyl]methyl]-3-(3-aminophenyl)urea?
The InChIKey is YSKTTXMYLWXFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN6O2/c1-14(2)11-23(3)20(31)30(21(26)29-23)13-16-8-7-15(9-19(16)24)12-27-22(32)28-18-6-4-5-17(25)10-18/h4-10,14H,11-13,25H2,1-3H3,(H2,26,29)(H2,27,28,32).
What are the key properties of 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-3-fluorophenyl]methyl]-3-(3-aminophenyl)urea?
1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-3-fluorophenyl]methyl]-3-(3-aminophenyl)urea has a molecular weight of 440.52 g/mol, XLogP of 3.19, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]-3-fluorophenyl]methyl]-3-(3-aminophenyl)urea is sourced from PubChem (CID 70141504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).