3-ethyl-2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimido[1,2-a]benzimidazol-4-one

C20H24N4O2 — CID 17035845

IUPAC3-ethyl-2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimido[1,2-a]benzimidazol-4-one
SMILESCCc1c(C)n(CC(=O)N2CCCCC2)c2nc3ccccc3n2c1=O
InChIInChI=1S/C20H24N4O2/c1-3-15-14(2)23(13-18(25)22-11-7-4-8-12-22)20-21-16-9-5-6-10-17(16)24(20)19(15)26/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3
InChIKeyARMKWTYYUQNSMW-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.53
Rot. Bonds3

About 3-ethyl-2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimido[1,2-a]benzimidazol-4-one

3-ethyl-2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimido[1,2-a]benzimidazol-4-one (PubChem CID 17035845) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-ethyl-2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimido[1,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name3-ethyl-2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimido[1,2-a]benzimidazol-4-one
PubChem CID17035845
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3-ethyl-2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimido[1,2-a]benzimidazol-4-one
SMILESCCc1c(C)n(CC(=O)N2CCCCC2)c2nc3ccccc3n2c1=O
InChIInChI=1S/C20H24N4O2/c1-3-15-14(2)23(13-18(25)22-11-7-4-8-12-22)20-21-16-9-5-6-10-17(16)24(20)19(15)26/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3
InChIKeyARMKWTYYUQNSMW-UHFFFAOYSA-N
XLogP2.53
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetic acid
CID 17035842
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-(methylamino)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 82359384
4-ethyl-2-(2-oxo-2-piperidin-1-ylethyl)-[1,2,4]triazolo[4,3-a]benzimidazol-1-one
CID 16669120
2-[2-(4-methoxyphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 17001389
1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone
CID 16996658
2-[2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 3224716
2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone
CID 16996660
2-[2-(2,4-dimethylphenyl)benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 16987650
N-[[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]acetamide
CID 17006020

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimido[1,2-a]benzimidazol-4-one?
The IUPAC name of 3-ethyl-2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimido[1,2-a]benzimidazol-4-one (CID 17035845) is 3-ethyl-2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimido[1,2-a]benzimidazol-4-one.
What is the SMILES notation for 3-ethyl-2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimido[1,2-a]benzimidazol-4-one?
The canonical SMILES for 3-ethyl-2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimido[1,2-a]benzimidazol-4-one is CCc1c(C)n(CC(=O)N2CCCCC2)c2nc3ccccc3n2c1=O.
What is the InChIKey of 3-ethyl-2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimido[1,2-a]benzimidazol-4-one?
The InChIKey is ARMKWTYYUQNSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-3-15-14(2)23(13-18(25)22-11-7-4-8-12-22)20-21-16-9-5-6-10-17(16)24(20)19(15)26/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3.
What are the key properties of 3-ethyl-2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimido[1,2-a]benzimidazol-4-one?
3-ethyl-2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimido[1,2-a]benzimidazol-4-one has a molecular weight of 352.44 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimido[1,2-a]benzimidazol-4-one is sourced from PubChem (CID 17035845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).