2-methyl-3-propyl-1H-pyrimido[1,2-a]benzimidazol-4-one

C14H15N3O — CID 703106

IUPAC2-methyl-3-propyl-1H-pyrimido[1,2-a]benzimidazol-4-one
SMILESCCCc1c(C)[nH]c2nc3ccccc3n2c1=O
InChIInChI=1S/C14H15N3O/c1-3-6-10-9(2)15-14-16-11-7-4-5-8-12(11)17(14)13(10)18/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)
InChIKeyQBAVWUUGTOWNEB-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.44
Rot. Bonds2

About 2-methyl-3-propyl-1H-pyrimido[1,2-a]benzimidazol-4-one

2-methyl-3-propyl-1H-pyrimido[1,2-a]benzimidazol-4-one (PubChem CID 703106) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-methyl-3-propyl-1H-pyrimido[1,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name2-methyl-3-propyl-1H-pyrimido[1,2-a]benzimidazol-4-one
PubChem CID703106
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-methyl-3-propyl-1H-pyrimido[1,2-a]benzimidazol-4-one
SMILESCCCc1c(C)[nH]c2nc3ccccc3n2c1=O
InChIInChI=1S/C14H15N3O/c1-3-6-10-9(2)15-14-16-11-7-4-5-8-12(11)17(14)13(10)18/h4-5,7-8H,3,6H2,1-2H3,(H,15,16)
InChIKeyQBAVWUUGTOWNEB-UHFFFAOYSA-N
XLogP2.44
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 135727399
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N-(1H-1,3-benzodiazol-2-yl)acetamide
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3-(1H-benzimidazol-1-yl)propanamide
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N-(2-methyl-1-phenylbenzimidazol-5-yl)acetamide
CID 739312
N-(1-methylbenzimidazol-2-yl)benzamide
CID 780674
N-(1-ethylbenzimidazol-2-yl)benzamide
CID 872071
PF-06284674
CID 71624854
N-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propanamide
CID 658262
N-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetamide
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N-(1-heptylbenzimidazol-2-yl)propanamide
CID 3844957

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propyl-1H-pyrimido[1,2-a]benzimidazol-4-one?
The IUPAC name of 2-methyl-3-propyl-1H-pyrimido[1,2-a]benzimidazol-4-one (CID 703106) is 2-methyl-3-propyl-1H-pyrimido[1,2-a]benzimidazol-4-one.
What is the SMILES notation for 2-methyl-3-propyl-1H-pyrimido[1,2-a]benzimidazol-4-one?
The canonical SMILES for 2-methyl-3-propyl-1H-pyrimido[1,2-a]benzimidazol-4-one is CCCc1c(C)[nH]c2nc3ccccc3n2c1=O.
What is the InChIKey of 2-methyl-3-propyl-1H-pyrimido[1,2-a]benzimidazol-4-one?
The InChIKey is QBAVWUUGTOWNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-3-6-10-9(2)15-14-16-11-7-4-5-8-12(11)17(14)13(10)18/h4-5,7-8H,3,6H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-3-propyl-1H-pyrimido[1,2-a]benzimidazol-4-one?
2-methyl-3-propyl-1H-pyrimido[1,2-a]benzimidazol-4-one has a molecular weight of 241.29 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propyl-1H-pyrimido[1,2-a]benzimidazol-4-one is sourced from PubChem (CID 703106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).