N-[4-[[6-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]phenyl]acetamide

C20H19N7O — CID 117082558

IUPACN-[4-[[6-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(Nc3nc4ccccc4n3C)ncn2)cc1
InChIInChI=1S/C20H19N7O/c1-13(28)23-14-7-9-15(10-8-14)24-18-11-19(22-12-21-18)26-20-25-16-5-3-4-6-17(16)27(20)2/h3-12H,1-2H3,(H,23,28)(H2,21,22,24,25,26)
InChIKeyWCRDMURYAIPRIA-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.81
Rot. Bonds5

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

N-[4-[[6-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 117082558) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[4-[[6-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID117082558
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC NameN-[4-[[6-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(Nc3nc4ccccc4n3C)ncn2)cc1
InChIInChI=1S/C20H19N7O/c1-13(28)23-14-7-9-15(10-8-14)24-18-11-19(22-12-21-18)26-20-25-16-5-3-4-6-17(16)27(20)2/h3-12H,1-2H3,(H,23,28)(H2,21,22,24,25,26)
InChIKeyWCRDMURYAIPRIA-UHFFFAOYSA-N
XLogP3.81
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[6-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]phenyl]acetamide (CID 117082558) is N-[4-[[6-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[6-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2cc(Nc3nc4ccccc4n3C)ncn2)cc1.
What is the InChIKey of N-[4-[[6-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is WCRDMURYAIPRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-13(28)23-14-7-9-15(10-8-14)24-18-11-19(22-12-21-18)26-20-25-16-5-3-4-6-17(16)27(20)2/h3-12H,1-2H3,(H,23,28)(H2,21,22,24,25,26).
What are the key properties of N-[4-[[6-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]phenyl]acetamide?
N-[4-[[6-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 373.42 g/mol, XLogP of 3.81, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-[(1-methylbenzimidazol-2-yl)amino]pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 117082558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).