2-(benzimidazol-1-yl)-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide

C25H22N8O — CID 122316227

IUPAC2-(benzimidazol-1-yl)-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCc1ccnc(Nc2cc(Nc3ccc(NC(=O)Cn4cnc5ccccc54)cc3)ncn2)c1
InChIInChI=1S/C25H22N8O/c1-17-10-11-26-22(12-17)32-24-13-23(27-15-28-24)30-18-6-8-19(9-7-18)31-25(34)14-33-16-29-20-4-2-3-5-21(20)33/h2-13,15-16H,14H2,1H3,(H,31,34)(H2,26,27,28,30,32)
InChIKeyLEHDUZXUMNDCPU-UHFFFAOYSA-N
MW450.51 g/mol
LogP4.66
Rot. Bonds7

About 2-(benzimidazol-1-yl)-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide

2-(benzimidazol-1-yl)-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 122316227) has the molecular formula C25H22N8O and a molecular weight of 450.51 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID122316227
Molecular FormulaC25H22N8O
Molecular Weight450.51 g/mol
Exact Mass450.19
IUPAC Name2-(benzimidazol-1-yl)-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCc1ccnc(Nc2cc(Nc3ccc(NC(=O)Cn4cnc5ccccc54)cc3)ncn2)c1
InChIInChI=1S/C25H22N8O/c1-17-10-11-26-22(12-17)32-24-13-23(27-15-28-24)30-18-6-8-19(9-7-18)31-25(34)14-33-16-29-20-4-2-3-5-21(20)33/h2-13,15-16H,14H2,1H3,(H,31,34)(H2,26,27,28,30,32)
InChIKeyLEHDUZXUMNDCPU-UHFFFAOYSA-N
XLogP4.66
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-(benzimidazol-1-yl)-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide with MolForge

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Related Compounds

2-(benzimidazol-1-yl)-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 122324098
3,3,3-trifluoro-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]propanamide
CID 122316462
N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 122316885
2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide
CID 6459558
2-(benzimidazol-1-yl)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 122288252
4-[[2-(benzimidazol-1-yl)acetyl]amino]benzoate
CID 6969911
2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 3578169
1-(4-chlorophenyl)-3-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]urea
CID 122316239
2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide
CID 70918719
N-(2-amino-4-methylphenyl)-2-(benzimidazol-1-yl)acetamide
CID 43376196
2-(benzimidazol-1-yl)-N-[1-(3-methylphenyl)pyrazol-3-yl]acetamide
CID 16678852
2-(2-fluorophenyl)-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 122316808

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide (CID 122316227) is 2-(benzimidazol-1-yl)-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide is Cc1ccnc(Nc2cc(Nc3ccc(NC(=O)Cn4cnc5ccccc54)cc3)ncn2)c1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is LEHDUZXUMNDCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N8O/c1-17-10-11-26-22(12-17)32-24-13-23(27-15-28-24)30-18-6-8-19(9-7-18)31-25(34)14-33-16-29-20-4-2-3-5-21(20)33/h2-13,15-16H,14H2,1H3,(H,31,34)(H2,26,27,28,30,32).
What are the key properties of 2-(benzimidazol-1-yl)-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide?
2-(benzimidazol-1-yl)-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 450.51 g/mol, XLogP of 4.66, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 122316227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).