propan-2-yl 2-methyl-4-thiophen-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

C19H19N3O2S — CID 127030364

IUPACpropan-2-yl 2-methyl-4-thiophen-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
SMILESCC1=C(C(=O)OC(C)C)C(c2ccsc2)n2c(nc3ccccc32)N1
InChIInChI=1S/C19H19N3O2S/c1-11(2)24-18(23)16-12(3)20-19-21-14-6-4-5-7-15(14)22(19)17(16)13-8-9-25-10-13/h4-11,17H,1-3H3,(H,20,21)
InChIKeyFLDPOALIHQWAGV-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.34
Rot. Bonds3

About propan-2-yl 2-methyl-4-thiophen-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate

propan-2-yl 2-methyl-4-thiophen-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate (PubChem CID 127030364) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is propan-2-yl 2-methyl-4-thiophen-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-methyl-4-thiophen-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
PubChem CID127030364
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Namepropan-2-yl 2-methyl-4-thiophen-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
SMILESCC1=C(C(=O)OC(C)C)C(c2ccsc2)n2c(nc3ccccc32)N1
InChIInChI=1S/C19H19N3O2S/c1-11(2)24-18(23)16-12(3)20-19-21-14-6-4-5-7-15(14)22(19)17(16)13-8-9-25-10-13/h4-11,17H,1-3H3,(H,20,21)
InChIKeyFLDPOALIHQWAGV-UHFFFAOYSA-N
XLogP4.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-methyl-4-thiophen-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate?
The IUPAC name of propan-2-yl 2-methyl-4-thiophen-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate (CID 127030364) is propan-2-yl 2-methyl-4-thiophen-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-methyl-4-thiophen-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate?
The canonical SMILES for propan-2-yl 2-methyl-4-thiophen-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate is CC1=C(C(=O)OC(C)C)C(c2ccsc2)n2c(nc3ccccc32)N1.
What is the InChIKey of propan-2-yl 2-methyl-4-thiophen-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate?
The InChIKey is FLDPOALIHQWAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-11(2)24-18(23)16-12(3)20-19-21-14-6-4-5-7-15(14)22(19)17(16)13-8-9-25-10-13/h4-11,17H,1-3H3,(H,20,21).
What are the key properties of propan-2-yl 2-methyl-4-thiophen-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate?
propan-2-yl 2-methyl-4-thiophen-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate has a molecular weight of 353.45 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-methyl-4-thiophen-3-yl-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate is sourced from PubChem (CID 127030364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).