1-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea

C24H21F3N4O — CID 46382209

IUPAC1-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCn1c(CCc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)nc2ccccc21
InChIInChI=1S/C24H21F3N4O/c1-31-21-11-3-2-10-20(21)30-22(31)13-12-16-6-4-8-18(14-16)28-23(32)29-19-9-5-7-17(15-19)24(25,26)27/h2-11,14-15H,12-13H2,1H3,(H2,28,29,32)
InChIKeyXUQXAFDOEGKEGL-UHFFFAOYSA-N
MW438.45 g/mol
LogP6.02
Rot. Bonds5

About 1-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea

1-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 46382209) has the molecular formula C24H21F3N4O and a molecular weight of 438.45 g/mol. Its IUPAC name is 1-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID46382209
Molecular FormulaC24H21F3N4O
Molecular Weight438.45 g/mol
Exact Mass438.17
IUPAC Name1-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCn1c(CCc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)nc2ccccc21
InChIInChI=1S/C24H21F3N4O/c1-31-21-11-3-2-10-20(21)30-22(31)13-12-16-6-4-8-18(14-16)28-23(32)29-19-9-5-7-17(15-19)24(25,26)27/h2-11,14-15H,12-13H2,1H3,(H2,28,29,32)
InChIKeyXUQXAFDOEGKEGL-UHFFFAOYSA-N
XLogP6.02
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.45
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 20933815
1-(2,5-dimethylphenyl)-3-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 50825646
2-chloro-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46328429
1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea
CID 46382333
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-2-(4-methylphenyl)acetamide
CID 50784494
3-(benzimidazol-1-yl)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 46328435
3-(dimethylamino)-N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46328410
1-(3,4-dimethylphenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 50825337
1-phenyl-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382224
1-(3-chlorophenyl)-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382241
3-[3-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methylamino]phenyl]propanoic acid
CID 122044144
1-(2-chlorophenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382332

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 46382209) is 1-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea is Cn1c(CCc2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)nc2ccccc21.
What is the InChIKey of 1-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is XUQXAFDOEGKEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O/c1-31-21-11-3-2-10-20(21)30-22(31)13-12-16-6-4-8-18(14-16)28-23(32)29-19-9-5-7-17(15-19)24(25,26)27/h2-11,14-15H,12-13H2,1H3,(H2,28,29,32).
What are the key properties of 1-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 438.45 g/mol, XLogP of 6.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 46382209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).