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

C24H27N7O — CID 122288252

IUPAC2-(benzimidazol-1-yl)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
SMILESCCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)Cn3cnc4ccccc43)cc2)n1
InChIInChI=1S/C24H27N7O/c1-4-30(5-2)22-14-17(3)26-24(29-22)28-19-12-10-18(11-13-19)27-23(32)15-31-16-25-20-8-6-7-9-21(20)31/h6-14,16H,4-5,15H2,1-3H3,(H,27,32)(H,26,28,29)
InChIKeyYNLQUTKEBZSXKI-UHFFFAOYSA-N
MW429.53 g/mol
LogP4.36
Rot. Bonds8

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

2-(benzimidazol-1-yl)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide (PubChem CID 122288252) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
PubChem CID122288252
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name2-(benzimidazol-1-yl)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
SMILESCCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)Cn3cnc4ccccc43)cc2)n1
InChIInChI=1S/C24H27N7O/c1-4-30(5-2)22-14-17(3)26-24(29-22)28-19-12-10-18(11-13-19)27-23(32)15-31-16-25-20-8-6-7-9-21(20)31/h6-14,16H,4-5,15H2,1-3H3,(H,27,32)(H,26,28,29)
InChIKeyYNLQUTKEBZSXKI-UHFFFAOYSA-N
XLogP4.36
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(benzimidazol-1-yl)-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 122324098
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 122288373
2-(benzimidazol-1-yl)-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 122316227
N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-phenylbenzamide
CID 18566738
2-(benzimidazol-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2437108
2-(benzimidazol-1-yl)-N-(4-chloro-3-methylphenyl)acetamide
CID 6459558
4-[[2-(benzimidazol-1-yl)acetyl]amino]benzoate
CID 6969911
2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide
CID 70918719
2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 3578169
N-[3-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112924147
(2S)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 122288447
N-(2-amino-4-methylphenyl)-2-(benzimidazol-1-yl)acetamide
CID 43376196

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide (CID 122288252) is 2-(benzimidazol-1-yl)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide is CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)Cn3cnc4ccccc43)cc2)n1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide?
The InChIKey is YNLQUTKEBZSXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-4-30(5-2)22-14-17(3)26-24(29-22)28-19-12-10-18(11-13-19)27-23(32)15-31-16-25-20-8-6-7-9-21(20)31/h6-14,16H,4-5,15H2,1-3H3,(H,27,32)(H,26,28,29).
What are the key properties of 2-(benzimidazol-1-yl)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide?
2-(benzimidazol-1-yl)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide has a molecular weight of 429.53 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[4-[[4-(diethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 122288252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).