2-(benzimidazol-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide

C18H23N7O — CID 121074724

IUPAC2-(benzimidazol-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
SMILESCc1nc(NCCNC(=O)Cn2cnc3ccccc32)cc(N(C)C)n1
InChIInChI=1S/C18H23N7O/c1-13-22-16(10-17(23-13)24(2)3)19-8-9-20-18(26)11-25-12-21-14-6-4-5-7-15(14)25/h4-7,10,12H,8-9,11H2,1-3H3,(H,20,26)(H,19,22,23)
InChIKeyQAHMFZYUSIUMAW-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.43
Rot. Bonds7

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

2-(benzimidazol-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide (PubChem CID 121074724) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
PubChem CID121074724
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name2-(benzimidazol-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
SMILESCc1nc(NCCNC(=O)Cn2cnc3ccccc32)cc(N(C)C)n1
InChIInChI=1S/C18H23N7O/c1-13-22-16(10-17(23-13)24(2)3)19-8-9-20-18(26)11-25-12-21-14-6-4-5-7-15(14)25/h4-7,10,12H,8-9,11H2,1-3H3,(H,20,26)(H,19,22,23)
InChIKeyQAHMFZYUSIUMAW-UHFFFAOYSA-N
XLogP1.43
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(benzimidazol-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 122293721
2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]quinoline-2-carboxamide
CID 122293584
2-(benzimidazol-1-yl)-N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 122324098
2-cyclopropyl-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 122293653
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-(3-methoxyphenoxy)acetamide
CID 122293596
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(3-methylphenyl)propanamide
CID 122293663
N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-ethylbutanamide
CID 121074604
1-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(2-fluorophenyl)urea
CID 47001063
4-[[2-(benzimidazol-1-yl)acetyl]amino]-2-methylbutanoic acid
CID 80538626
2-(benzimidazol-1-yl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121120794
1-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122293803

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide (CID 121074724) is 2-(benzimidazol-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide is Cc1nc(NCCNC(=O)Cn2cnc3ccccc32)cc(N(C)C)n1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide?
The InChIKey is QAHMFZYUSIUMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-13-22-16(10-17(23-13)24(2)3)19-8-9-20-18(26)11-25-12-21-14-6-4-5-7-15(14)25/h4-7,10,12H,8-9,11H2,1-3H3,(H,20,26)(H,19,22,23).
What are the key properties of 2-(benzimidazol-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide?
2-(benzimidazol-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide has a molecular weight of 353.43 g/mol, XLogP of 1.43, 7 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-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 121074724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).