2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetic acid

C15H15N3O3 — CID 17035842

IUPAC2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetic acid
SMILESCCc1c(C)n(CC(=O)O)c2nc3ccccc3n2c1=O
InChIInChI=1S/C15H15N3O3/c1-3-10-9(2)17(8-13(19)20)15-16-11-6-4-5-7-12(11)18(15)14(10)21/h4-7H,3,8H2,1-2H3,(H,19,20)
InChIKeyKOOJRWUCCLBPMU-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.60
Rot. Bonds3

About 2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetic acid

2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetic acid (PubChem CID 17035842) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetic acid
PubChem CID17035842
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetic acid
SMILESCCc1c(C)n(CC(=O)O)c2nc3ccccc3n2c1=O
InChIInChI=1S/C15H15N3O3/c1-3-10-9(2)17(8-13(19)20)15-16-11-6-4-5-7-12(11)18(15)14(10)21/h4-7H,3,8H2,1-2H3,(H,19,20)
InChIKeyKOOJRWUCCLBPMU-UHFFFAOYSA-N
XLogP1.60
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimido[1,2-a]benzimidazol-4-one
CID 17035845
3-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one
CID 17035851
N-(3,4-dimethylphenyl)-2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetamide
CID 17035867
3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one
CID 17035823
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
2-(2,3-dimethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84630754
2-[2-(5-methylthiophen-2-yl)benzimidazol-1-yl]acetic acid
CID 43168780
2-[2-(2-methylphenyl)benzimidazol-1-yl]acetic acid
CID 43349122
3-butyl-1-(furan-2-ylmethyl)-2-hydroxypyrimido[1,2-a]benzimidazol-4-one
CID 4905741
2-[2-(3-ethyl-1-methylpyrazol-5-yl)benzimidazol-1-yl]acetic acid
CID 66122497
2-[2-(2-methyl-4-pyridinyl)benzimidazol-1-yl]acetic acid
CID 106753326

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetic acid (CID 17035842) is 2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetic acid is CCc1c(C)n(CC(=O)O)c2nc3ccccc3n2c1=O.
What is the InChIKey of 2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetic acid?
The InChIKey is KOOJRWUCCLBPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-3-10-9(2)17(8-13(19)20)15-16-11-6-4-5-7-12(11)18(15)14(10)21/h4-7H,3,8H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetic acid?
2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetic acid has a molecular weight of 285.30 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetic acid is sourced from PubChem (CID 17035842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).