3-butyl-1-(furan-2-ylmethyl)-2-hydroxypyrimido[1,2-a]benzimidazol-4-one

C19H19N3O3 — CID 4905741

IUPAC3-butyl-1-(furan-2-ylmethyl)-2-hydroxypyrimido[1,2-a]benzimidazol-4-one
SMILESCCCCc1c(O)n(Cc2ccco2)c2nc3ccccc3n2c1=O
InChIInChI=1S/C19H19N3O3/c1-2-3-8-14-17(23)21(12-13-7-6-11-25-13)19-20-15-9-4-5-10-16(15)22(19)18(14)24/h4-7,9-11,23H,2-3,8,12H2,1H3
InChIKeyXJLIJYGRDCQTRC-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.34
Rot. Bonds5

About 3-butyl-1-(furan-2-ylmethyl)-2-hydroxypyrimido[1,2-a]benzimidazol-4-one

3-butyl-1-(furan-2-ylmethyl)-2-hydroxypyrimido[1,2-a]benzimidazol-4-one (PubChem CID 4905741) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-butyl-1-(furan-2-ylmethyl)-2-hydroxypyrimido[1,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name3-butyl-1-(furan-2-ylmethyl)-2-hydroxypyrimido[1,2-a]benzimidazol-4-one
PubChem CID4905741
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name3-butyl-1-(furan-2-ylmethyl)-2-hydroxypyrimido[1,2-a]benzimidazol-4-one
SMILESCCCCc1c(O)n(Cc2ccco2)c2nc3ccccc3n2c1=O
InChIInChI=1S/C19H19N3O3/c1-2-3-8-14-17(23)21(12-13-7-6-11-25-13)19-20-15-9-4-5-10-16(15)22(19)18(14)24/h4-7,9-11,23H,2-3,8,12H2,1H3
InChIKeyXJLIJYGRDCQTRC-UHFFFAOYSA-N
XLogP3.34
TPSA72.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-butyl-3-methylbenzimidazolo[1,2-a]quinazolin-5-one
CID 154711899
2-(3-ethyl-2-methyl-4-oxopyrimido[1,2-a]benzimidazol-1-yl)acetic acid
CID 17035842
1-benzyl-2-hydroxy-3-[(4-nitrophenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one
CID 4906893
3-ethyl-2-methyl-1-(naphthalen-1-ylmethyl)pyrimido[1,2-a]benzimidazol-4-one
CID 17035823
1-ethyl-4-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17091379
3-ethyl-2-methyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrimido[1,2-a]benzimidazol-4-one
CID 17035845
13,14,27,28-tetraoctyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,16,18,20,22,26(30),27-tridecaene-11,25-dione
CID 102494132
3-ethyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one
CID 17035851
methyl 9-(furan-2-ylmethyl)-19-oxo-20-pentyl-2,9,11,20-tetrazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(12),3(8),4,6,10,13,15,17-octaene-5-carboxylate
CID 71682110
2-hydroxy-1-(2-morpholin-4-ylethyl)-3-[(4-propan-2-ylphenyl)methyl]pyrimido[1,2-a]benzimidazol-4-one
CID 4909290
10-(furan-2-ylmethyl)-3-methylpyrimido[4,5-b]quinoline-2,4-dione
CID 10566649
2-(furan-2-yl)-1-hexylbenzimidazole
CID 17000135

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-(furan-2-ylmethyl)-2-hydroxypyrimido[1,2-a]benzimidazol-4-one?
The IUPAC name of 3-butyl-1-(furan-2-ylmethyl)-2-hydroxypyrimido[1,2-a]benzimidazol-4-one (CID 4905741) is 3-butyl-1-(furan-2-ylmethyl)-2-hydroxypyrimido[1,2-a]benzimidazol-4-one.
What is the SMILES notation for 3-butyl-1-(furan-2-ylmethyl)-2-hydroxypyrimido[1,2-a]benzimidazol-4-one?
The canonical SMILES for 3-butyl-1-(furan-2-ylmethyl)-2-hydroxypyrimido[1,2-a]benzimidazol-4-one is CCCCc1c(O)n(Cc2ccco2)c2nc3ccccc3n2c1=O.
What is the InChIKey of 3-butyl-1-(furan-2-ylmethyl)-2-hydroxypyrimido[1,2-a]benzimidazol-4-one?
The InChIKey is XJLIJYGRDCQTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-2-3-8-14-17(23)21(12-13-7-6-11-25-13)19-20-15-9-4-5-10-16(15)22(19)18(14)24/h4-7,9-11,23H,2-3,8,12H2,1H3.
What are the key properties of 3-butyl-1-(furan-2-ylmethyl)-2-hydroxypyrimido[1,2-a]benzimidazol-4-one?
3-butyl-1-(furan-2-ylmethyl)-2-hydroxypyrimido[1,2-a]benzimidazol-4-one has a molecular weight of 337.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-(furan-2-ylmethyl)-2-hydroxypyrimido[1,2-a]benzimidazol-4-one is sourced from PubChem (CID 4905741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).