1-[(4-imidazol-1-ylphenyl)methyl]-3-[[3-(phenylmethoxymethyl)phenyl]methyl]urea

C26H26N4O2 — CID 154857737

IUPAC1-[(4-imidazol-1-ylphenyl)methyl]-3-[[3-(phenylmethoxymethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(-n2ccnc2)cc1)NCc1cccc(COCc2ccccc2)c1
InChIInChI=1S/C26H26N4O2/c31-26(28-16-21-9-11-25(12-10-21)30-14-13-27-20-30)29-17-23-7-4-8-24(15-23)19-32-18-22-5-2-1-3-6-22/h1-15,20H,16-19H2,(H2,28,29,31)
InChIKeyWOEYWKNRQOXCSY-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.59
Rot. Bonds9

About 1-[(4-imidazol-1-ylphenyl)methyl]-3-[[3-(phenylmethoxymethyl)phenyl]methyl]urea

1-[(4-imidazol-1-ylphenyl)methyl]-3-[[3-(phenylmethoxymethyl)phenyl]methyl]urea (PubChem CID 154857737) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 1-[(4-imidazol-1-ylphenyl)methyl]-3-[[3-(phenylmethoxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(4-imidazol-1-ylphenyl)methyl]-3-[[3-(phenylmethoxymethyl)phenyl]methyl]urea
PubChem CID154857737
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name1-[(4-imidazol-1-ylphenyl)methyl]-3-[[3-(phenylmethoxymethyl)phenyl]methyl]urea
SMILESO=C(NCc1ccc(-n2ccnc2)cc1)NCc1cccc(COCc2ccccc2)c1
InChIInChI=1S/C26H26N4O2/c31-26(28-16-21-9-11-25(12-10-21)30-14-13-27-20-30)29-17-23-7-4-8-24(15-23)19-32-18-22-5-2-1-3-6-22/h1-15,20H,16-19H2,(H2,28,29,31)
InChIKeyWOEYWKNRQOXCSY-UHFFFAOYSA-N
XLogP4.59
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4-imidazol-1-ylphenyl)methyl]-3-[[3-(phenylmethoxymethyl)phenyl]methyl]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

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(4-imidazol-1-ylphenyl)methyl]urea
CID 111618688
2-(3-bromophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 99609547
1-[(4-imidazol-1-ylphenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 86850595
N-[(4-imidazol-1-ylphenyl)methyl]-2-pyridin-3-ylacetamide
CID 53159084
3-[(4-imidazol-1-ylphenyl)methylcarbamoylamino]-N-propylpropanamide
CID 86850589
1-(3,4-difluorophenyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea
CID 171697953
2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 50847572
1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea
CID 126771139
N-[[3-(ethoxymethyl)phenyl]methyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 47068369
N-[(4-imidazol-1-ylphenyl)methyl]aniline
CID 43229289
N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 53159079
1-(1-hydroxybutan-2-yl)-3-[(4-imidazol-1-ylphenyl)methyl]urea
CID 110908208

Frequently Asked Questions

What is the IUPAC name of 1-[(4-imidazol-1-ylphenyl)methyl]-3-[[3-(phenylmethoxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-[(4-imidazol-1-ylphenyl)methyl]-3-[[3-(phenylmethoxymethyl)phenyl]methyl]urea (CID 154857737) is 1-[(4-imidazol-1-ylphenyl)methyl]-3-[[3-(phenylmethoxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[(4-imidazol-1-ylphenyl)methyl]-3-[[3-(phenylmethoxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[(4-imidazol-1-ylphenyl)methyl]-3-[[3-(phenylmethoxymethyl)phenyl]methyl]urea is O=C(NCc1ccc(-n2ccnc2)cc1)NCc1cccc(COCc2ccccc2)c1.
What is the InChIKey of 1-[(4-imidazol-1-ylphenyl)methyl]-3-[[3-(phenylmethoxymethyl)phenyl]methyl]urea?
The InChIKey is WOEYWKNRQOXCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c31-26(28-16-21-9-11-25(12-10-21)30-14-13-27-20-30)29-17-23-7-4-8-24(15-23)19-32-18-22-5-2-1-3-6-22/h1-15,20H,16-19H2,(H2,28,29,31).
What are the key properties of 1-[(4-imidazol-1-ylphenyl)methyl]-3-[[3-(phenylmethoxymethyl)phenyl]methyl]urea?
1-[(4-imidazol-1-ylphenyl)methyl]-3-[[3-(phenylmethoxymethyl)phenyl]methyl]urea has a molecular weight of 426.52 g/mol, XLogP of 4.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-imidazol-1-ylphenyl)methyl]-3-[[3-(phenylmethoxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 154857737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).