1-(2-ethoxyphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea

C26H28N4O2 — CID 50762157

IUPAC1-(2-ethoxyphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea
SMILESCCOc1ccccc1NC(=O)NCCn1c(CCc2ccccc2)nc2ccccc21
InChIInChI=1S/C26H28N4O2/c1-2-32-24-15-9-7-13-22(24)29-26(31)27-18-19-30-23-14-8-6-12-21(23)28-25(30)17-16-20-10-4-3-5-11-20/h3-15H,2,16-19H2,1H3,(H2,27,29,31)
InChIKeyNGSLMGTZNWRNOT-UHFFFAOYSA-N
MW428.54 g/mol
LogP5.04
Rot. Bonds9

About 1-(2-ethoxyphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea

1-(2-ethoxyphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea (PubChem CID 50762157) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea
PubChem CID50762157
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name1-(2-ethoxyphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea
SMILESCCOc1ccccc1NC(=O)NCCn1c(CCc2ccccc2)nc2ccccc21
InChIInChI=1S/C26H28N4O2/c1-2-32-24-15-9-7-13-22(24)29-26(31)27-18-19-30-23-14-8-6-12-21(23)28-25(30)17-16-20-10-4-3-5-11-20/h3-15H,2,16-19H2,1H3,(H2,27,29,31)
InChIKeyNGSLMGTZNWRNOT-UHFFFAOYSA-N
XLogP5.04
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethylphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea
CID 46287188
1-(2-ethoxyphenyl)-3-(4-phenylbutyl)urea
CID 24818671
N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992566
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea
CID 50762211
N-(4-ethoxyphenyl)-2-[2-(2-phenylethyl)benzimidazol-1-yl]acetamide
CID 17031709
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975480
N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16974588
3-[2-(2-phenylethyl)benzimidazol-1-yl]propanoic acid
CID 82144764
1-(2-ethoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 971052
3-fluoro-4-methyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzamide
CID 53063143
1-(2-ethoxyphenyl)-3-[2-(4-fluorophenyl)ethyl]urea
CID 40666258

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea (CID 50762157) is 1-(2-ethoxyphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea is CCOc1ccccc1NC(=O)NCCn1c(CCc2ccccc2)nc2ccccc21.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea?
The InChIKey is NGSLMGTZNWRNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-2-32-24-15-9-7-13-22(24)29-26(31)27-18-19-30-23-14-8-6-12-21(23)28-25(30)17-16-20-10-4-3-5-11-20/h3-15H,2,16-19H2,1H3,(H2,27,29,31).
What are the key properties of 1-(2-ethoxyphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea?
1-(2-ethoxyphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea has a molecular weight of 428.54 g/mol, XLogP of 5.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea is sourced from PubChem (CID 50762157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).