1-(4-ethoxyphenyl)-3-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]urea

C19H19F3N4O2 — CID 46287097

IUPAC1-(4-ethoxyphenyl)-3-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]urea
SMILESCCOc1ccc(NC(=O)NCCn2c(C(F)(F)F)nc3ccccc32)cc1
InChIInChI=1S/C19H19F3N4O2/c1-2-28-14-9-7-13(8-10-14)24-18(27)23-11-12-26-16-6-4-3-5-15(16)25-17(26)19(20,21)22/h3-10H,2,11-12H2,1H3,(H2,23,24,27)
InChIKeyLFYYHDWMKOPDRW-UHFFFAOYSA-N
MW392.38 g/mol
LogP4.28
Rot. Bonds6

About 1-(4-ethoxyphenyl)-3-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]urea

1-(4-ethoxyphenyl)-3-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]urea (PubChem CID 46287097) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]urea
PubChem CID46287097
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name1-(4-ethoxyphenyl)-3-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]urea
SMILESCCOc1ccc(NC(=O)NCCn2c(C(F)(F)F)nc3ccccc32)cc1
InChIInChI=1S/C19H19F3N4O2/c1-2-28-14-9-7-13(8-10-14)24-18(27)23-11-12-26-16-6-4-3-5-15(16)25-17(26)19(20,21)22/h3-10H,2,11-12H2,1H3,(H2,23,24,27)
InChIKeyLFYYHDWMKOPDRW-UHFFFAOYSA-N
XLogP4.28
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenoxy-N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]acetamide
CID 53063129
1-(4-ethoxyphenyl)-3-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]urea
CID 53021931
1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 112825680
1-(2-methylphenyl)-3-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]urea
CID 53019866
N-(4-ethoxyphenyl)-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 3460449
1-(4-acetylphenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 71898971
N-(4-ethoxyphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 78767015
N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]furan-2-carboxamide
CID 53063111
methyl 4-[2-(trifluoromethyl)benzimidazol-1-yl]butanoate
CID 56791848
2-(2-ethylbenzimidazol-1-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 46674253
N-(4-ethoxyphenyl)-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide
CID 17029032
[1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 46622619

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]urea (CID 46287097) is 1-(4-ethoxyphenyl)-3-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]urea is CCOc1ccc(NC(=O)NCCn2c(C(F)(F)F)nc3ccccc32)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]urea?
The InChIKey is LFYYHDWMKOPDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-2-28-14-9-7-13(8-10-14)24-18(27)23-11-12-26-16-6-4-3-5-15(16)25-17(26)19(20,21)22/h3-10H,2,11-12H2,1H3,(H2,23,24,27).
What are the key properties of 1-(4-ethoxyphenyl)-3-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]urea?
1-(4-ethoxyphenyl)-3-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]urea has a molecular weight of 392.38 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]urea is sourced from PubChem (CID 46287097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).