1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea

C24H20F3N5O3 — CID 11612749

IUPAC1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea
SMILESCOc1cc(OC)c(C(F)(F)F)cc1NC(=O)Nc1ccc(-n2ccnc2-c2ccncc2)cc1
InChIInChI=1S/C24H20F3N5O3/c1-34-20-14-21(35-2)19(13-18(20)24(25,26)27)31-23(33)30-16-3-5-17(6-4-16)32-12-11-29-22(32)15-7-9-28-10-8-15/h3-14H,1-2H3,(H2,30,31,33)
InChIKeyDYRQJFOJYSWNAR-UHFFFAOYSA-N
MW483.45 g/mol
LogP5.61
Rot. Bonds6

About 1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea

1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea (PubChem CID 11612749) has the molecular formula C24H20F3N5O3 and a molecular weight of 483.45 g/mol. Its IUPAC name is 1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea
PubChem CID11612749
Molecular FormulaC24H20F3N5O3
Molecular Weight483.45 g/mol
Exact Mass483.15
IUPAC Name1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea
SMILESCOc1cc(OC)c(C(F)(F)F)cc1NC(=O)Nc1ccc(-n2ccnc2-c2ccncc2)cc1
InChIInChI=1S/C24H20F3N5O3/c1-34-20-14-21(35-2)19(13-18(20)24(25,26)27)31-23(33)30-16-3-5-17(6-4-16)32-12-11-29-22(32)15-7-9-28-10-8-15/h3-14H,1-2H3,(H2,30,31,33)
InChIKeyDYRQJFOJYSWNAR-UHFFFAOYSA-N
XLogP5.61
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.45
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-bromo-2,4-dimethoxyphenyl)-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea
CID 11555014
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(2-pyridin-4-ylimidazol-1-yl)-2-(trifluoromethyl)phenyl]urea
CID 11511958
1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(2-methyl-1-pyridin-4-ylindol-4-yl)urea
CID 174536267
1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-(1-methyl-1,3-thiazol-1-ium-2-yl)urea
CID 162540870
1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053113
2-methoxy-N-[4-(2-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]benzamide
CID 141110853
1-[1-[(2-amino-4-pyridinyl)methyl]indol-4-yl]-3-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]urea
CID 11627218
1-[3-[[2-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
CID 11533136
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 2810421
1-[2-(2,4-dichlorophenoxy)-5-(trifluoromethyl)phenyl]-3-[4-methoxy-3-(trifluoromethyl)phenyl]urea
CID 71552865
1-(2-methyl-1-pyridin-4-ylindol-4-yl)-3-[4-methyl-3-(trifluoromethyl)phenyl]urea
CID 174536266
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[3-[(4-pyridin-4-ylimidazol-1-yl)methyl]phenyl]urea
CID 11605154

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea?
The IUPAC name of 1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea (CID 11612749) is 1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea?
The canonical SMILES for 1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea is COc1cc(OC)c(C(F)(F)F)cc1NC(=O)Nc1ccc(-n2ccnc2-c2ccncc2)cc1.
What is the InChIKey of 1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea?
The InChIKey is DYRQJFOJYSWNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O3/c1-34-20-14-21(35-2)19(13-18(20)24(25,26)27)31-23(33)30-16-3-5-17(6-4-16)32-12-11-29-22(32)15-7-9-28-10-8-15/h3-14H,1-2H3,(H2,30,31,33).
What are the key properties of 1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea?
1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea has a molecular weight of 483.45 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]-3-[4-(2-pyridin-4-ylimidazol-1-yl)phenyl]urea is sourced from PubChem (CID 11612749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).