1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea

C20H21F3N4O3 — CID 112825680

IUPAC1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)NCCn2c(C)nc3ccccc32)cc1OCC(F)(F)F
InChIInChI=1S/C20H21F3N4O3/c1-13-25-15-5-3-4-6-16(15)27(13)10-9-24-19(28)26-14-7-8-17(29-2)18(11-14)30-12-20(21,22)23/h3-8,11H,9-10,12H2,1-2H3,(H2,24,26,28)
InChIKeyUHHAOAZWDHKLQV-UHFFFAOYSA-N
MW422.41 g/mol
LogP4.12
Rot. Bonds7

About 1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea

1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea (PubChem CID 112825680) has the molecular formula C20H21F3N4O3 and a molecular weight of 422.41 g/mol. Its IUPAC name is 1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
PubChem CID112825680
Molecular FormulaC20H21F3N4O3
Molecular Weight422.41 g/mol
Exact Mass422.16
IUPAC Name1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
SMILESCOc1ccc(NC(=O)NCCn2c(C)nc3ccccc32)cc1OCC(F)(F)F
InChIInChI=1S/C20H21F3N4O3/c1-13-25-15-5-3-4-6-16(15)27(13)10-9-24-19(28)26-14-7-8-17(29-2)18(11-14)30-12-20(21,22)23/h3-8,11H,9-10,12H2,1-2H3,(H2,24,26,28)
InChIKeyUHHAOAZWDHKLQV-UHFFFAOYSA-N
XLogP4.12
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea with MolForge

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Related Compounds

1-(4-acetylphenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 71898971
1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-[3-(2-phenylethynyl)phenyl]urea
CID 112825397
4-[[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]butanoic acid
CID 122075598
1-(4-ethoxyphenyl)-3-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]urea
CID 46287097
N-methyl-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]-N-phenylbenzamide
CID 78893478
1-(2,4-difluorophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 46287063
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 18206073
1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-[2-(N-methylanilino)propyl]urea
CID 112826091
3-(2,5-dimethoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 38091464
1-(3-methoxyphenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 46286976
N-(3-cyanophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]benzamide
CID 78893496
1-(3,4-dimethylphenyl)-3-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]urea
CID 46287188

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea?
The IUPAC name of 1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea (CID 112825680) is 1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea?
The canonical SMILES for 1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea is COc1ccc(NC(=O)NCCn2c(C)nc3ccccc32)cc1OCC(F)(F)F.
What is the InChIKey of 1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea?
The InChIKey is UHHAOAZWDHKLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O3/c1-13-25-15-5-3-4-6-16(15)27(13)10-9-24-19(28)26-14-7-8-17(29-2)18(11-14)30-12-20(21,22)23/h3-8,11H,9-10,12H2,1-2H3,(H2,24,26,28).
What are the key properties of 1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea?
1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea has a molecular weight of 422.41 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea is sourced from PubChem (CID 112825680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).