8-methylsulfanyl-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-2-one

C11H11N3OS — CID 135574092

IUPAC8-methylsulfanyl-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-2-one
SMILESCSc1ccc2c(c1)nc1n2CCC(=O)N1
InChIInChI=1S/C11H11N3OS/c1-16-7-2-3-9-8(6-7)12-11-13-10(15)4-5-14(9)11/h2-3,6H,4-5H2,1H3,(H,12,13,15)
InChIKeyYBPAGIDHPNXNDD-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.10
Rot. Bonds1

About 8-methylsulfanyl-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-2-one

8-methylsulfanyl-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-2-one (PubChem CID 135574092) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 8-methylsulfanyl-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-2-one.

Molecular Properties

Compound Name8-methylsulfanyl-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-2-one
PubChem CID135574092
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name8-methylsulfanyl-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-2-one
SMILESCSc1ccc2c(c1)nc1n2CCC(=O)N1
InChIInChI=1S/C11H11N3OS/c1-16-7-2-3-9-8(6-7)12-11-13-10(15)4-5-14(9)11/h2-3,6H,4-5H2,1H3,(H,12,13,15)
InChIKeyYBPAGIDHPNXNDD-UHFFFAOYSA-N
XLogP2.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methylsulfanyl-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-2-one?
The IUPAC name of 8-methylsulfanyl-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-2-one (CID 135574092) is 8-methylsulfanyl-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-2-one.
What is the SMILES notation for 8-methylsulfanyl-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-2-one?
The canonical SMILES for 8-methylsulfanyl-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-2-one is CSc1ccc2c(c1)nc1n2CCC(=O)N1.
What is the InChIKey of 8-methylsulfanyl-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-2-one?
The InChIKey is YBPAGIDHPNXNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-16-7-2-3-9-8(6-7)12-11-13-10(15)4-5-14(9)11/h2-3,6H,4-5H2,1H3,(H,12,13,15).
What are the key properties of 8-methylsulfanyl-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-2-one?
8-methylsulfanyl-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-2-one has a molecular weight of 233.30 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfanyl-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-2-one is sourced from PubChem (CID 135574092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).