5-chloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-methoxybenzamide

C22H19ClN6O2 — CID 121073894

IUPAC5-chloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(Nc2cc(-n3ccnc3)nc(C)n2)cc1
InChIInChI=1S/C22H19ClN6O2/c1-14-25-20(12-21(26-14)29-10-9-24-13-29)27-16-4-6-17(7-5-16)28-22(30)18-11-15(23)3-8-19(18)31-2/h3-13H,1-2H3,(H,28,30)(H,25,26,27)
InChIKeyXZFULHMSTCVCAU-UHFFFAOYSA-N
MW434.89 g/mol
LogP4.63
Rot. Bonds6

About 5-chloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-methoxybenzamide

5-chloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-methoxybenzamide (PubChem CID 121073894) has the molecular formula C22H19ClN6O2 and a molecular weight of 434.89 g/mol. Its IUPAC name is 5-chloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-methoxybenzamide
PubChem CID121073894
Molecular FormulaC22H19ClN6O2
Molecular Weight434.89 g/mol
Exact Mass434.13
IUPAC Name5-chloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(Nc2cc(-n3ccnc3)nc(C)n2)cc1
InChIInChI=1S/C22H19ClN6O2/c1-14-25-20(12-21(26-14)29-10-9-24-13-29)27-16-4-6-17(7-5-16)28-22(30)18-11-15(23)3-8-19(18)31-2/h3-13H,1-2H3,(H,28,30)(H,25,26,27)
InChIKeyXZFULHMSTCVCAU-UHFFFAOYSA-N
XLogP4.63
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.89
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-2-methoxy-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 50748451
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-3-methoxybenzamide
CID 121073870
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]pyridine-2-carboxamide
CID 122291528
2,6-difluoro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzamide
CID 70702892
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]propanamide
CID 70702579
1-(2-chlorophenyl)-3-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]urea
CID 56920689
5-chloro-2-methoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide
CID 108756608
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-3-methylbutanamide
CID 70702650
2,4-dichloro-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 121072769
N-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)oxyphenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 122313187
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-pyrimidin-2-yloxyacetamide
CID 121086772
2,5-dichloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 121074150

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-methoxybenzamide (CID 121073894) is 5-chloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1ccc(Nc2cc(-n3ccnc3)nc(C)n2)cc1.
What is the InChIKey of 5-chloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-methoxybenzamide?
The InChIKey is XZFULHMSTCVCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6O2/c1-14-25-20(12-21(26-14)29-10-9-24-13-29)27-16-4-6-17(7-5-16)28-22(30)18-11-15(23)3-8-19(18)31-2/h3-13H,1-2H3,(H,28,30)(H,25,26,27).
What are the key properties of 5-chloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-methoxybenzamide?
5-chloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-methoxybenzamide has a molecular weight of 434.89 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 121073894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).