1-[3-[[2-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea

C24H21F3N6O2 — CID 11533136

IUPAC1-[3-[[2-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)Nc1cccc(Cn2ccnc2-c2ccnc(N)c2)c1
InChIInChI=1S/C24H21F3N6O2/c1-35-20-6-5-17(24(25,26)27)13-19(20)32-23(34)31-18-4-2-3-15(11-18)14-33-10-9-30-22(33)16-7-8-29-21(28)12-16/h2-13H,14H2,1H3,(H2,28,29)(H2,31,32,34)
InChIKeyRTSJBYKRKAWPJT-UHFFFAOYSA-N
MW482.47 g/mol
LogP5.25
Rot. Bonds6

About 1-[3-[[2-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea

1-[3-[[2-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea (PubChem CID 11533136) has the molecular formula C24H21F3N6O2 and a molecular weight of 482.47 g/mol. Its IUPAC name is 1-[3-[[2-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[3-[[2-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
PubChem CID11533136
Molecular FormulaC24H21F3N6O2
Molecular Weight482.47 g/mol
Exact Mass482.17
IUPAC Name1-[3-[[2-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)Nc1cccc(Cn2ccnc2-c2ccnc(N)c2)c1
InChIInChI=1S/C24H21F3N6O2/c1-35-20-6-5-17(24(25,26)27)13-19(20)32-23(34)31-18-4-2-3-15(11-18)14-33-10-9-30-22(33)16-7-8-29-21(28)12-16/h2-13H,14H2,1H3,(H2,28,29)(H2,31,32,34)
InChIKeyRTSJBYKRKAWPJT-UHFFFAOYSA-N
XLogP5.25
TPSA107.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.47
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[3-[[2-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

ethane;4-[1-[[3-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]methyl]imidazol-2-yl]-N-methylpyridine-2-carboxamide
CID 143262080
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[3-[(4-pyridin-4-ylimidazol-1-yl)methyl]phenyl]urea
CID 11605154
1-[1-[(2-amino-4-pyridinyl)methyl]-5-fluoroindol-4-yl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
CID 11525724
1-(5-chloro-2-phenoxyphenyl)-3-[3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]urea
CID 11518884
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[4-(2-pyridin-4-ylimidazol-1-yl)-2-(trifluoromethyl)phenyl]urea
CID 11511958
1-[1-[(2-amino-4-pyridinyl)methyl]indol-4-yl]-3-[2,4-dimethoxy-5-(trifluoromethyl)phenyl]urea
CID 11627218
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[1-[(3-methyl-4-pyridinyl)methyl]indol-4-yl]urea
CID 162541440
1-(3,5-dichlorophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
CID 54332053
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 86609606
4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine
CID 66652889
3-[[2-[4-(trifluoromethyl)phenyl]imidazol-1-yl]methyl]phenol
CID 82560734
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-(2-methyl-1-pyridin-4-ylbenzimidazol-4-yl)urea
CID 15604339

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[3-[[2-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea (CID 11533136) is 1-[3-[[2-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[3-[[2-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[3-[[2-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea is COc1ccc(C(F)(F)F)cc1NC(=O)Nc1cccc(Cn2ccnc2-c2ccnc(N)c2)c1.
What is the InChIKey of 1-[3-[[2-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea?
The InChIKey is RTSJBYKRKAWPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O2/c1-35-20-6-5-17(24(25,26)27)13-19(20)32-23(34)31-18-4-2-3-15(11-18)14-33-10-9-30-22(33)16-7-8-29-21(28)12-16/h2-13H,14H2,1H3,(H2,28,29)(H2,31,32,34).
What are the key properties of 1-[3-[[2-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea?
1-[3-[[2-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea has a molecular weight of 482.47 g/mol, XLogP of 5.25, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenyl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 11533136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).