1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-[(E)-2-phenylprop-1-enyl]urea

C26H33N5O2 — CID 163620731

IUPAC1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-[(E)-2-phenylprop-1-enyl]urea
SMILESC/C(=C\NC(=O)NCc1ccc(CN2C(=O)C(C)(CC(C)C)N=C2N)cc1)c1ccccc1
InChIInChI=1S/C26H33N5O2/c1-18(2)14-26(4)23(32)31(24(27)30-26)17-21-12-10-20(11-13-21)16-29-25(33)28-15-19(3)22-8-6-5-7-9-22/h5-13,15,18H,14,16-17H2,1-4H3,(H2,27,30)(H2,28,29,33)/b19-15+
InChIKeyHNWIPSKKEHONCD-XDJHFCHBSA-N
MW447.58 g/mol
LogP4.01
Rot. Bonds8

About 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-[(E)-2-phenylprop-1-enyl]urea

1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-[(E)-2-phenylprop-1-enyl]urea (PubChem CID 163620731) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-[(E)-2-phenylprop-1-enyl]urea.

Molecular Properties

Compound Name1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-[(E)-2-phenylprop-1-enyl]urea
PubChem CID163620731
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC Name1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-[(E)-2-phenylprop-1-enyl]urea
SMILESC/C(=C\NC(=O)NCc1ccc(CN2C(=O)C(C)(CC(C)C)N=C2N)cc1)c1ccccc1
InChIInChI=1S/C26H33N5O2/c1-18(2)14-26(4)23(32)31(24(27)30-26)17-21-12-10-20(11-13-21)16-29-25(33)28-15-19(3)22-8-6-5-7-9-22/h5-13,15,18H,14,16-17H2,1-4H3,(H2,27,30)(H2,28,29,33)/b19-15+
InChIKeyHNWIPSKKEHONCD-XDJHFCHBSA-N
XLogP4.01
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.01
H-Bond Donors ≤ 53
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-(1-cyclohexa-1,3-dien-1-ylethyl)urea
CID 163863509
3-[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]-N-methyl-N-(2-phenylethyl)propanamide
CID 58425093
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]-3-fluorophenyl]methyl]-3-(3-aminophenyl)urea
CID 70141504
CID 145460572
CID 145460572
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-3-[[4-[4-(2,3-dichlorophenyl)-3-oxobutyl]-3-fluorophenyl]methyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one
CID 58425323
2-amino-5-methyl-5-(2-methylpropyl)-3-[[3-[2-(4-pentylphenyl)sulfonylethyl]phenyl]methyl]imidazol-4-one
CID 70118336
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 59387439
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

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-[(E)-2-phenylprop-1-enyl]urea?
The IUPAC name of 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) is 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-[(E)-2-phenylprop-1-enyl]urea.
What is the SMILES notation for 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-[(E)-2-phenylprop-1-enyl]urea?
The canonical SMILES for 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-[(E)-2-phenylprop-1-enyl]urea is C/C(=C\NC(=O)NCc1ccc(CN2C(=O)C(C)(CC(C)C)N=C2N)cc1)c1ccccc1.
What is the InChIKey of 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-[(E)-2-phenylprop-1-enyl]urea?
The InChIKey is HNWIPSKKEHONCD-XDJHFCHBSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-18(2)14-26(4)23(32)31(24(27)30-26)17-21-12-10-20(11-13-21)16-29-25(33)28-15-19(3)22-8-6-5-7-9-22/h5-13,15,18H,14,16-17H2,1-4H3,(H2,27,30)(H2,28,29,33)/b19-15+.
What are the key properties of 1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-[(E)-2-phenylprop-1-enyl]urea?
1-[[4-[[2-amino-4-methyl-4-(2-methylpropyl)-5-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-[(E)-2-phenylprop-1-enyl]urea has a molecular weight of 447.58 g/mol, XLogP of 4.01, 8 rotatable bonds, 3 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-oxoimidazol-1-yl]methyl]phenyl]methyl]-3-[(E)-2-phenylprop-1-enyl]urea is sourced from PubChem (CID 163620731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).