1-[2-[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-iodophenyl]ethyl]-3-cyclohexylurea

C26H32IN5O2 — CID 89116093

IUPAC1-[2-[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-iodophenyl]ethyl]-3-cyclohexylurea
SMILESCN1C(=O)C(C)(c2cccc(-c3cc(I)ccc3CCNC(=O)NC3CCCCC3)c2)N=C1N
InChIInChI=1S/C26H32IN5O2/c1-26(23(33)32(2)24(28)31-26)19-8-6-7-18(15-19)22-16-20(27)12-11-17(22)13-14-29-25(34)30-21-9-4-3-5-10-21/h6-8,11-12,15-16,21H,3-5,9-10,13-14H2,1-2H3,(H2,28,31)(H2,29,30,34)
InChIKeyYBLDHGCJNGXHDN-UHFFFAOYSA-N
MW573.48 g/mol
LogP4.13
Rot. Bonds6

About 1-[2-[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-iodophenyl]ethyl]-3-cyclohexylurea

1-[2-[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-iodophenyl]ethyl]-3-cyclohexylurea (PubChem CID 89116093) has the molecular formula C26H32IN5O2 and a molecular weight of 573.48 g/mol. Its IUPAC name is 1-[2-[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-iodophenyl]ethyl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[2-[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-iodophenyl]ethyl]-3-cyclohexylurea
PubChem CID89116093
Molecular FormulaC26H32IN5O2
Molecular Weight573.48 g/mol
Exact Mass573.16
IUPAC Name1-[2-[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-iodophenyl]ethyl]-3-cyclohexylurea
SMILESCN1C(=O)C(C)(c2cccc(-c3cc(I)ccc3CCNC(=O)NC3CCCCC3)c2)N=C1N
InChIInChI=1S/C26H32IN5O2/c1-26(23(33)32(2)24(28)31-26)19-8-6-7-18(15-19)22-16-20(27)12-11-17(22)13-14-29-25(34)30-21-9-4-3-5-10-21/h6-8,11-12,15-16,21H,3-5,9-10,13-14H2,1-2H3,(H2,28,31)(H2,29,30,34)
InChIKeyYBLDHGCJNGXHDN-UHFFFAOYSA-N
XLogP4.13
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.48
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-iodophenyl]ethyl]-3-cyclohexylurea 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

1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-iodophenyl]methyl]-3-cyclohexylurea
CID 67578310
1-[2-[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]ethyl]-3-cyclohexylurea
CID 59386785
1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-(2-chlorophenyl)urea
CID 59387635
1-cyclohexyl-3-[2-(8-methyl-2-oxo-1H-quinolin-3-yl)ethyl]urea
CID 110325752
1-cyclohexyl-3-[2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)ethyl]urea
CID 53144575
1-cyclohexyl-3-[4-(6-oxo-3-phenylpyridazin-1-yl)butyl]urea
CID 13412562
1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693380
1-cyclopentyl-3-[2-(1-methylindol-3-yl)ethyl]urea
CID 110748890
1-[2-(4-aminopyrazol-1-yl)ethyl]-3-cyclopentylurea
CID 113285954
1-cyclopentyl-3-[2-(2,5-dimethylpyrrol-1-yl)ethyl]urea
CID 110747697
1-cyclopentyl-3-[2-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)ethyl]urea
CID 110775819
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-[5-methoxy-2-[(pyridin-2-ylmethylamino)methyl]phenyl]phenyl]-5-methylimidazol-4-one
CID 59387327

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-iodophenyl]ethyl]-3-cyclohexylurea?
The IUPAC name of 1-[2-[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-iodophenyl]ethyl]-3-cyclohexylurea (CID 89116093) is 1-[2-[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-iodophenyl]ethyl]-3-cyclohexylurea.
What is the SMILES notation for 1-[2-[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-iodophenyl]ethyl]-3-cyclohexylurea?
The canonical SMILES for 1-[2-[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-iodophenyl]ethyl]-3-cyclohexylurea is CN1C(=O)C(C)(c2cccc(-c3cc(I)ccc3CCNC(=O)NC3CCCCC3)c2)N=C1N.
What is the InChIKey of 1-[2-[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-iodophenyl]ethyl]-3-cyclohexylurea?
The InChIKey is YBLDHGCJNGXHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32IN5O2/c1-26(23(33)32(2)24(28)31-26)19-8-6-7-18(15-19)22-16-20(27)12-11-17(22)13-14-29-25(34)30-21-9-4-3-5-10-21/h6-8,11-12,15-16,21H,3-5,9-10,13-14H2,1-2H3,(H2,28,31)(H2,29,30,34).
What are the key properties of 1-[2-[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-iodophenyl]ethyl]-3-cyclohexylurea?
1-[2-[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-iodophenyl]ethyl]-3-cyclohexylurea has a molecular weight of 573.48 g/mol, XLogP of 4.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-iodophenyl]ethyl]-3-cyclohexylurea is sourced from PubChem (CID 89116093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).