2-(2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)ethyl acetate

C15H15N3O3 — CID 17228782

IUPAC2-(2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)ethyl acetate
SMILESCC(=O)OCCn1c(C)cc(=O)n2c3ccccc3nc12
InChIInChI=1S/C15H15N3O3/c1-10-9-14(20)18-13-6-4-3-5-12(13)16-15(18)17(10)7-8-21-11(2)19/h3-6,9H,7-8H2,1-2H3
InChIKeyRYZGQYNEZWNSSL-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.52
Rot. Bonds3

About 2-(2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)ethyl acetate

2-(2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)ethyl acetate (PubChem CID 17228782) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)ethyl acetate
PubChem CID17228782
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-(2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)ethyl acetate
SMILESCC(=O)OCCn1c(C)cc(=O)n2c3ccccc3nc12
InChIInChI=1S/C15H15N3O3/c1-10-9-14(20)18-13-6-4-3-5-12(13)16-15(18)17(10)7-8-21-11(2)19/h3-6,9H,7-8H2,1-2H3
InChIKeyRYZGQYNEZWNSSL-UHFFFAOYSA-N
XLogP1.52
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-chlorophenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one
CID 16767176
2-(2-oxoquinoxalin-1-yl)ethyl acetate
CID 175088435
4-[2-(chloromethyl)benzimidazol-1-yl]butyl acetate
CID 23551461
2-[5-cyano-3-[(E)-(4-cyano-3-methyl-1-oxopyrido[1,2-a]benzimidazol-2-ylidene)methyl]-2-hydroxy-4-methyl-6-oxo-1-pyridinyl]ethyl acetate
CID 135572000
2-(1-hydroxy-3-oxoisoquinolin-2-yl)ethyl acetate
CID 54327845
2-(2-oxo-1,3-benzoxazol-3-yl)ethyl acetate
CID 142790595
4-(benzotriazol-1-yl)butyl acetate
CID 3611762
2-(3-methoxyphenyl)-1-(2-phenylethyl)pyrimido[1,2-a]benzimidazol-4-one
CID 17190476
2-[3-(hydroxymethyl)carbazol-9-yl]ethyl acetate
CID 143174420
2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetic acid
CID 17035842
2-(2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84630754
3-(2-methylimidazo[1,2-a]benzimidazol-3-yl)propan-1-ol
CID 6624969

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)ethyl acetate?
The IUPAC name of 2-(2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)ethyl acetate (CID 17228782) is 2-(2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)ethyl acetate.
What is the SMILES notation for 2-(2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)ethyl acetate?
The canonical SMILES for 2-(2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)ethyl acetate is CC(=O)OCCn1c(C)cc(=O)n2c3ccccc3nc12.
What is the InChIKey of 2-(2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)ethyl acetate?
The InChIKey is RYZGQYNEZWNSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-9-14(20)18-13-6-4-3-5-12(13)16-15(18)17(10)7-8-21-11(2)19/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 2-(2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)ethyl acetate?
2-(2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)ethyl acetate has a molecular weight of 285.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)ethyl acetate is sourced from PubChem (CID 17228782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).