2-(benzimidazol-1-yl)-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide

C22H23N7O — CID 122324098

IUPAC2-(benzimidazol-1-yl)-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
SMILESCCNc1cc(Nc2ccc(NC(=O)Cn3cnc4ccccc43)cc2)nc(C)n1
InChIInChI=1S/C22H23N7O/c1-3-23-20-12-21(26-15(2)25-20)27-16-8-10-17(11-9-16)28-22(30)13-29-14-24-18-6-4-5-7-19(18)29/h4-12,14H,3,13H2,1-2H3,(H,28,30)(H2,23,25,26,27)
InChIKeyDNZNIVYRFDJUTL-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.95
Rot. Bonds7

About 2-(benzimidazol-1-yl)-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide

2-(benzimidazol-1-yl)-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 122324098) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID122324098
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name2-(benzimidazol-1-yl)-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
SMILESCCNc1cc(Nc2ccc(NC(=O)Cn3cnc4ccccc43)cc2)nc(C)n1
InChIInChI=1S/C22H23N7O/c1-3-23-20-12-21(26-15(2)25-20)27-16-8-10-17(11-9-16)28-22(30)13-29-14-24-18-6-4-5-7-19(18)29/h4-12,14H,3,13H2,1-2H3,(H,28,30)(H2,23,25,26,27)
InChIKeyDNZNIVYRFDJUTL-UHFFFAOYSA-N
XLogP3.95
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(benzimidazol-1-yl)-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 122316227
2-(benzimidazol-1-yl)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 122288252
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]butanamide
CID 122324029
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-(2-fluorophenyl)acetamide
CID 122324278
2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide
CID 6459558
4-[[2-(benzimidazol-1-yl)acetyl]amino]benzoate
CID 6969911
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2,2-dimethylpropanamide
CID 122324032
2-(benzimidazol-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 121074724
2-(benzimidazol-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2437108
2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 3578169
2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide
CID 70918719
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 122291669

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide (CID 122324098) is 2-(benzimidazol-1-yl)-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide is CCNc1cc(Nc2ccc(NC(=O)Cn3cnc4ccccc43)cc2)nc(C)n1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is DNZNIVYRFDJUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-3-23-20-12-21(26-15(2)25-20)27-16-8-10-17(11-9-16)28-22(30)13-29-14-24-18-6-4-5-7-19(18)29/h4-12,14H,3,13H2,1-2H3,(H,28,30)(H2,23,25,26,27).
What are the key properties of 2-(benzimidazol-1-yl)-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide?
2-(benzimidazol-1-yl)-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 401.47 g/mol, XLogP of 3.95, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 122324098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).