N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]-4-methylbenzamide

C28H24N6O — CID 11518257

IUPACN-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4ccc(-n5ccnc5)cc4)n3)c2)cc1
InChIInChI=1S/C28H24N6O/c1-19-3-6-22(7-4-19)27(35)31-23-10-5-20(2)26(17-23)33-28-30-14-13-25(32-28)21-8-11-24(12-9-21)34-16-15-29-18-34/h3-18H,1-2H3,(H,31,35)(H,30,32,33)
InChIKeyAYHMBEPHMYJZOD-UHFFFAOYSA-N
MW460.54 g/mol
LogP5.94
Rot. Bonds6

About N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]-4-methylbenzamide

N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]-4-methylbenzamide (PubChem CID 11518257) has the molecular formula C28H24N6O and a molecular weight of 460.54 g/mol. Its IUPAC name is N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]-4-methylbenzamide
PubChem CID11518257
Molecular FormulaC28H24N6O
Molecular Weight460.54 g/mol
Exact Mass460.20
IUPAC NameN-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4ccc(-n5ccnc5)cc4)n3)c2)cc1
InChIInChI=1S/C28H24N6O/c1-19-3-6-22(7-4-19)27(35)31-23-10-5-20(2)26(17-23)33-28-30-14-13-25(32-28)21-8-11-24(12-9-21)34-16-15-29-18-34/h3-18H,1-2H3,(H,31,35)(H,30,32,33)
InChIKeyAYHMBEPHMYJZOD-UHFFFAOYSA-N
XLogP5.94
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.54
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]pyridine-3-carboxamide
CID 11633725
3-fluoro-N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]phenyl]benzamide
CID 69235451
4-bromo-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 177190731
4-[(7-chloroquinolin-4-yl)amino]-N-[4-methyl-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 71656594
N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-4-pentylbenzamide
CID 11597628
N-[4-methyl-3-[[4-(5-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]-4-methylsulfonylbenzamide
CID 25114422
4-[(2,2-dimethylpropylamino)methyl]-N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzamide
CID 162650861
4-N,4-N-bis[2-(methylamino)-2-oxoethyl]-1-N-[4-methyl-3-[(4-phenylpyrimidin-2-yl)amino]phenyl]benzene-1,4-dicarboxamide
CID 58978310
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(trifluoromethoxy)benzamide
CID 10298544
4-(2-cyano-1,3-oxazol-5-yl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 25124216
4-bromo-N-[4-methyl-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 69234694
4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3,5-triazin-2-yl)amino]phenyl]benzamide
CID 23536120

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]-4-methylbenzamide?
The IUPAC name of N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]-4-methylbenzamide (CID 11518257) is N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]-4-methylbenzamide?
The canonical SMILES for N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4ccc(-n5ccnc5)cc4)n3)c2)cc1.
What is the InChIKey of N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]-4-methylbenzamide?
The InChIKey is AYHMBEPHMYJZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O/c1-19-3-6-22(7-4-19)27(35)31-23-10-5-20(2)26(17-23)33-28-30-14-13-25(32-28)21-8-11-24(12-9-21)34-16-15-29-18-34/h3-18H,1-2H3,(H,31,35)(H,30,32,33).
What are the key properties of N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]-4-methylbenzamide?
N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]-4-methylbenzamide has a molecular weight of 460.54 g/mol, XLogP of 5.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]-4-methylbenzamide is sourced from PubChem (CID 11518257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).