1-[4-amino-2-(benzimidazol-1-yl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one

C16H17N5O — CID 70138711

IUPAC1-[4-amino-2-(benzimidazol-1-yl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cnc(-n2cnc3ccccc32)nc1N
InChIInChI=1S/C16H17N5O/c1-16(2,3)13(22)10-8-18-15(20-14(10)17)21-9-19-11-6-4-5-7-12(11)21/h4-9H,1-3H3,(H2,17,18,20)
InChIKeySHZMZAPGFVEZAI-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.63
Rot. Bonds2

About 1-[4-amino-2-(benzimidazol-1-yl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one

1-[4-amino-2-(benzimidazol-1-yl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one (PubChem CID 70138711) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 1-[4-amino-2-(benzimidazol-1-yl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-amino-2-(benzimidazol-1-yl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one
PubChem CID70138711
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name1-[4-amino-2-(benzimidazol-1-yl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cnc(-n2cnc3ccccc32)nc1N
InChIInChI=1S/C16H17N5O/c1-16(2,3)13(22)10-8-18-15(20-14(10)17)21-9-19-11-6-4-5-7-12(11)21/h4-9H,1-3H3,(H2,17,18,20)
InChIKeySHZMZAPGFVEZAI-UHFFFAOYSA-N
XLogP2.63
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-amino-2-(benzimidazol-1-yl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one 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

1-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-2,2-dimethylpropan-1-one
CID 163284683
2-(benzimidazol-1-yl)-2-methylpropanoic acid
CID 82235137
6-(benzimidazol-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80853978
2-(benzimidazol-1-yl)-7H-purine
CID 57430843
6-(benzimidazol-1-yl)-2,5-dimethylpyrimidin-4-amine
CID 80854160
1-(2-ethylphenyl)benzimidazole
CID 22078308
2-(benzimidazol-1-yl)-3-methylquinoxaline
CID 115579889
6-(benzimidazol-1-yl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80992722
1-[2-(benzimidazol-1-yl)quinolin-8-yl]ethanone
CID 21020290
6-(benzimidazol-1-yl)pyridine-3-carboxamide
CID 90958614
3-(benzimidazol-1-yl)-2-methylbenzoic acid
CID 70364781
5-(benzimidazol-1-yl)-1,3-dimethylpyrazol-4-amine
CID 43554355

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(benzimidazol-1-yl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-amino-2-(benzimidazol-1-yl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one (CID 70138711) is 1-[4-amino-2-(benzimidazol-1-yl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-amino-2-(benzimidazol-1-yl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-amino-2-(benzimidazol-1-yl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1cnc(-n2cnc3ccccc32)nc1N.
What is the InChIKey of 1-[4-amino-2-(benzimidazol-1-yl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one?
The InChIKey is SHZMZAPGFVEZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-16(2,3)13(22)10-8-18-15(20-14(10)17)21-9-19-11-6-4-5-7-12(11)21/h4-9H,1-3H3,(H2,17,18,20).
What are the key properties of 1-[4-amino-2-(benzimidazol-1-yl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one?
1-[4-amino-2-(benzimidazol-1-yl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one has a molecular weight of 295.35 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(benzimidazol-1-yl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 70138711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).