ethyl 2-methyl-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

C19H18N4O2 — CID 665882

IUPACethyl 2-methyl-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
SMILESCCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cccnc1
InChIInChI=1S/C19H18N4O2/c1-3-25-18(24)16-12(2)21-19-22-14-8-4-5-9-15(14)23(19)17(16)13-7-6-10-20-11-13/h4-11,17H,3H2,1-2H3,(H,21,22)
InChIKeyOJAHHSNXXIKRTO-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.28
Rot. Bonds3

About ethyl 2-methyl-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

ethyl 2-methyl-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate (PubChem CID 665882) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is ethyl 2-methyl-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
PubChem CID665882
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Nameethyl 2-methyl-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
SMILESCCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cccnc1
InChIInChI=1S/C19H18N4O2/c1-3-25-18(24)16-12(2)21-19-22-14-8-4-5-9-15(14)23(19)17(16)13-7-6-10-20-11-13/h4-11,17H,3H2,1-2H3,(H,21,22)
InChIKeyOJAHHSNXXIKRTO-UHFFFAOYSA-N
XLogP3.28
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate?
The IUPAC name of ethyl 2-methyl-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate (CID 665882) is ethyl 2-methyl-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate is CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cccnc1.
What is the InChIKey of ethyl 2-methyl-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate?
The InChIKey is OJAHHSNXXIKRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-3-25-18(24)16-12(2)21-19-22-14-8-4-5-9-15(14)23(19)17(16)13-7-6-10-20-11-13/h4-11,17H,3H2,1-2H3,(H,21,22).
What are the key properties of ethyl 2-methyl-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate?
ethyl 2-methyl-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate has a molecular weight of 334.38 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-pyridin-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate is sourced from PubChem (CID 665882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).