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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Related Compounds

12-(pyridin-4-yl)-3,4,5,12-tetrahydrobenzimidazo[2,1-b]quinazolin-1(2H)-one
CID 2956586
Ethyl 1-ethyl-2-pyridin-2-ylbenzimidazole-5-carboxylate
CID 4782702
Ethyl 2-methyl-4-phenyl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 3157895
Ethyl 4-(benzylamino)-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carboxylate
CID 1842066
Cyclohexyl 5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxylate
CID 3235831
Cyclohexyl 5-methyl-7-pyridin-3-yl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 3237747
methyl 6-(1H-1,3-benzimidazol-1-yl)nicotinate
CID 4298771
ethyl 2-methyl-4-(1H-pyrrol-3-yl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 4314924
Ethyl 6-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-pyridin-2-yl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate
CID 15005376
Ethyl 6-methyl-2-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-4-pyridin-3-yl-5-(pyridin-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate
CID 15005377
Ethyl 4-[[2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]acetyl]amino]benzoate
CID 16022221
ethyl 2-methyl-4-(1H-pyrrol-2-yl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 122227309

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).