1-[2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione

C17H17N5O3 — CID 77097531

IUPAC1-[2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CC(=O)N2CC(c3nc4ccccc4[nH]3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C17H17N5O3/c1-10-6-22(17(25)20-16(10)24)9-14(23)21-7-11(8-21)15-18-12-4-2-3-5-13(12)19-15/h2-6,11H,7-9H2,1H3,(H,18,19)(H,20,24,25)
InChIKeyVIJPJVDLLUIQCA-UHFFFAOYSA-N
MW339.36 g/mol
LogP0.35
Rot. Bonds3

About 1-[2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione

1-[2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione (PubChem CID 77097531) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 1-[2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
PubChem CID77097531
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name1-[2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CC(=O)N2CC(c3nc4ccccc4[nH]3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C17H17N5O3/c1-10-6-22(17(25)20-16(10)24)9-14(23)21-7-11(8-21)15-18-12-4-2-3-5-13(12)19-15/h2-6,11H,7-9H2,1H3,(H,18,19)(H,20,24,25)
InChIKeyVIJPJVDLLUIQCA-UHFFFAOYSA-N
XLogP0.35
TPSA103.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione 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-[3-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 90505651
2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]ethanone
CID 77097499
1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 90505792
1-[2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
CID 126450682
N-[2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-oxoethyl]-3,3-dimethylbutanamide
CID 166217161
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 90505795
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-methoxyethanone
CID 47140725
2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43981456
5-methyl-1-[2-[4-(2-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 70783415
1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)ethanone
CID 90648113
1-[2-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 95860793

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione (CID 77097531) is 1-[2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione is Cc1cn(CC(=O)N2CC(c3nc4ccccc4[nH]3)C2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is VIJPJVDLLUIQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-10-6-22(17(25)20-16(10)24)9-14(23)21-7-11(8-21)15-18-12-4-2-3-5-13(12)19-15/h2-6,11H,7-9H2,1H3,(H,18,19)(H,20,24,25).
What are the key properties of 1-[2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione?
1-[2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 339.36 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 77097531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).