1,2,3-trimethyl-2,3-dihydropyrimido[1,2-a]benzimidazol-4-one

C13H15N3O — CID 59340966

IUPAC1,2,3-trimethyl-2,3-dihydropyrimido[1,2-a]benzimidazol-4-one
SMILESCC1C(=O)n2c(nc3ccccc32)N(C)C1C
InChIInChI=1S/C13H15N3O/c1-8-9(2)15(3)13-14-10-6-4-5-7-11(10)16(13)12(8)17/h4-9H,1-3H3
InChIKeyQWBMEFZKKBMERB-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.15
Rot. Bonds

About 1,2,3-trimethyl-2,3-dihydropyrimido[1,2-a]benzimidazol-4-one

1,2,3-trimethyl-2,3-dihydropyrimido[1,2-a]benzimidazol-4-one (PubChem CID 59340966) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1,2,3-trimethyl-2,3-dihydropyrimido[1,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name1,2,3-trimethyl-2,3-dihydropyrimido[1,2-a]benzimidazol-4-one
PubChem CID59340966
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1,2,3-trimethyl-2,3-dihydropyrimido[1,2-a]benzimidazol-4-one
SMILESCC1C(=O)n2c(nc3ccccc32)N(C)C1C
InChIInChI=1S/C13H15N3O/c1-8-9(2)15(3)13-14-10-6-4-5-7-11(10)16(13)12(8)17/h4-9H,1-3H3
InChIKeyQWBMEFZKKBMERB-UHFFFAOYSA-N
XLogP2.15
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-4,5-dihydro-3H-[1,3]diazepino[1,2-a]benzimidazol-2-one;ethane
CID 145225527
2-[2-[ethyl(methyl)amino]ethyl]-1,4-dimethyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one
CID 67908491
pyrrolo[1,2-a]benzimidazol-1-one
CID 23661048
2,8,14,20,26-pentakis-phenyl-32-(1-phenylbenzimidazol-2-yl)-2,8,14,20,26,32-hexazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene
CID 123675811
1-(1-methylbenzimidazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714699
1-methyl-3H-pyrrolo[1,2-a]benzimidazole
CID 45078447
CID 140577195
CID 140577195
1-(1-methylbenzimidazol-2-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670786
2-propan-2-yl-1-(2-propan-2-ylphenyl)benzimidazole
CID 155173883
2-[3-(difluoromethyl)azetidin-1-yl]-1-methylbenzimidazole
CID 122270125
1-phenyl-2-propan-2-ylbenzimidazole
CID 21050246
2-(1-methylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 60792986

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-2,3-dihydropyrimido[1,2-a]benzimidazol-4-one?
The IUPAC name of 1,2,3-trimethyl-2,3-dihydropyrimido[1,2-a]benzimidazol-4-one (CID 59340966) is 1,2,3-trimethyl-2,3-dihydropyrimido[1,2-a]benzimidazol-4-one.
What is the SMILES notation for 1,2,3-trimethyl-2,3-dihydropyrimido[1,2-a]benzimidazol-4-one?
The canonical SMILES for 1,2,3-trimethyl-2,3-dihydropyrimido[1,2-a]benzimidazol-4-one is CC1C(=O)n2c(nc3ccccc32)N(C)C1C.
What is the InChIKey of 1,2,3-trimethyl-2,3-dihydropyrimido[1,2-a]benzimidazol-4-one?
The InChIKey is QWBMEFZKKBMERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-8-9(2)15(3)13-14-10-6-4-5-7-11(10)16(13)12(8)17/h4-9H,1-3H3.
What are the key properties of 1,2,3-trimethyl-2,3-dihydropyrimido[1,2-a]benzimidazol-4-one?
1,2,3-trimethyl-2,3-dihydropyrimido[1,2-a]benzimidazol-4-one has a molecular weight of 229.28 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-2,3-dihydropyrimido[1,2-a]benzimidazol-4-one is sourced from PubChem (CID 59340966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).