1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-[2-(2-phenylethoxy)phenyl]urea

C23H22N4O3 — CID 167908247

IUPAC1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-[2-(2-phenylethoxy)phenyl]urea
SMILESO=C(NCc1ccc2[nH]c(=O)[nH]c2c1)Nc1ccccc1OCCc1ccccc1
InChIInChI=1S/C23H22N4O3/c28-22(24-15-17-10-11-18-20(14-17)27-23(29)25-18)26-19-8-4-5-9-21(19)30-13-12-16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H2,24,26,28)(H2,25,27,29)
InChIKeyXLIASXXEONJKDS-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.80
Rot. Bonds7

About 1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-[2-(2-phenylethoxy)phenyl]urea

1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-[2-(2-phenylethoxy)phenyl]urea (PubChem CID 167908247) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-[2-(2-phenylethoxy)phenyl]urea.

Molecular Properties

Compound Name1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-[2-(2-phenylethoxy)phenyl]urea
PubChem CID167908247
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-[2-(2-phenylethoxy)phenyl]urea
SMILESO=C(NCc1ccc2[nH]c(=O)[nH]c2c1)Nc1ccccc1OCCc1ccccc1
InChIInChI=1S/C23H22N4O3/c28-22(24-15-17-10-11-18-20(14-17)27-23(29)25-18)26-19-8-4-5-9-21(19)30-13-12-16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H2,24,26,28)(H2,25,27,29)
InChIKeyXLIASXXEONJKDS-UHFFFAOYSA-N
XLogP3.80
TPSA99.01 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775421
1-methyl-3-[2-(2-phenylethoxy)phenyl]urea
CID 47033729
1-[(4-fluorophenyl)methyl]-3-(2-propoxyphenyl)urea
CID 38197539
N-[2-(2-phenylethoxy)phenyl]-1H-indole-2-carboxamide
CID 55675130
1-(3,4-dimethylphenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 86807518
N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
CID 17131518
1-[(3-bromophenyl)methyl]-3-(2-ethoxyphenyl)urea
CID 108898949
2-amino-3-hydroxy-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 115179889
N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-2-phenylacetamide
CID 110791178
6-oxo-N-[2-(2-phenylethoxy)phenyl]-1H-pyridazine-3-carboxamide
CID 167992049
1-(2-aminophenyl)-3-benzylurea
CID 86135193
N-[[2-(2-phenylethoxy)phenyl]methyl]-2-(3-phenylpropoxy)aniline
CID 54801323

Frequently Asked Questions

What is the IUPAC name of 1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-[2-(2-phenylethoxy)phenyl]urea?
The IUPAC name of 1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-[2-(2-phenylethoxy)phenyl]urea (CID 167908247) is 1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-[2-(2-phenylethoxy)phenyl]urea.
What is the SMILES notation for 1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-[2-(2-phenylethoxy)phenyl]urea?
The canonical SMILES for 1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-[2-(2-phenylethoxy)phenyl]urea is O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)Nc1ccccc1OCCc1ccccc1.
What is the InChIKey of 1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-[2-(2-phenylethoxy)phenyl]urea?
The InChIKey is XLIASXXEONJKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c28-22(24-15-17-10-11-18-20(14-17)27-23(29)25-18)26-19-8-4-5-9-21(19)30-13-12-16-6-2-1-3-7-16/h1-11,14H,12-13,15H2,(H2,24,26,28)(H2,25,27,29).
What are the key properties of 1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-[2-(2-phenylethoxy)phenyl]urea?
1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-[2-(2-phenylethoxy)phenyl]urea has a molecular weight of 402.45 g/mol, XLogP of 3.80, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-3-[2-(2-phenylethoxy)phenyl]urea is sourced from PubChem (CID 167908247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).