1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea

C23H19F3N4O3 — CID 50797457

IUPAC1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCn1c(=O)n(C)c2cc(Oc3ccccc3)c(NC(=O)Nc3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C23H19F3N4O3/c1-29-18-12-17(28-21(31)27-15-8-6-7-14(11-15)23(24,25)26)20(13-19(18)30(2)22(29)32)33-16-9-4-3-5-10-16/h3-13H,1-2H3,(H2,27,28,31)
InChIKeyHEJGCWHEGQPLEZ-UHFFFAOYSA-N
MW456.42 g/mol
LogP5.33
Rot. Bonds4

About 1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea

1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 50797457) has the molecular formula C23H19F3N4O3 and a molecular weight of 456.42 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID50797457
Molecular FormulaC23H19F3N4O3
Molecular Weight456.42 g/mol
Exact Mass456.14
IUPAC Name1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCn1c(=O)n(C)c2cc(Oc3ccccc3)c(NC(=O)Nc3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C23H19F3N4O3/c1-29-18-12-17(28-21(31)27-15-8-6-7-14(11-15)23(24,25)26)20(13-19(18)30(2)22(29)32)33-16-9-4-3-5-10-16/h3-13H,1-2H3,(H2,27,28,31)
InChIKeyHEJGCWHEGQPLEZ-UHFFFAOYSA-N
XLogP5.33
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.42
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-acetylphenyl)-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea
CID 50797454
1-(4-bromo-3-methylphenyl)-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea
CID 50797464
1-benzyl-3-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)urea
CID 50797574
N-[2,5-diethoxy-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 5163768
4-tert-butyl-N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)benzamide
CID 50793171
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
N-[4-propan-2-yl-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 175308603
2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid
CID 10268726
1-(2-sulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 108886280
4,5-dimethoxy-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzoic acid
CID 10110546
1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 878376
1-(2-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2421688

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea (CID 50797457) is 1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea is Cn1c(=O)n(C)c2cc(Oc3ccccc3)c(NC(=O)Nc3cccc(C(F)(F)F)c3)cc21.
What is the InChIKey of 1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is HEJGCWHEGQPLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O3/c1-29-18-12-17(28-21(31)27-15-8-6-7-14(11-15)23(24,25)26)20(13-19(18)30(2)22(29)32)33-16-9-4-3-5-10-16/h3-13H,1-2H3,(H2,27,28,31).
What are the key properties of 1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 456.42 g/mol, XLogP of 5.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 50797457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).