4-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole

C20H16N4OS — CID 17391305

IUPAC4-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CSc1nc2ccccc2c2nc3ccccc3n12
InChIInChI=1S/C20H16N4OS/c1-12-15(13(2)25-23-12)11-26-20-22-16-8-4-3-7-14(16)19-21-17-9-5-6-10-18(17)24(19)20/h3-10H,11H2,1-2H3
InChIKeyKDTMHJKOQHLMSK-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.93
Rot. Bonds3

About 4-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole

4-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole (PubChem CID 17391305) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is 4-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole
PubChem CID17391305
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC Name4-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1CSc1nc2ccccc2c2nc3ccccc3n12
InChIInChI=1S/C20H16N4OS/c1-12-15(13(2)25-23-12)11-26-20-22-16-8-4-3-7-14(16)19-21-17-9-5-6-10-18(17)24(19)20/h3-10H,11H2,1-2H3
InChIKeyKDTMHJKOQHLMSK-UHFFFAOYSA-N
XLogP4.93
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole (CID 17391305) is 4-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1CSc1nc2ccccc2c2nc3ccccc3n12.
What is the InChIKey of 4-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is KDTMHJKOQHLMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-12-15(13(2)25-23-12)11-26-20-22-16-8-4-3-7-14(16)19-21-17-9-5-6-10-18(17)24(19)20/h3-10H,11H2,1-2H3.
What are the key properties of 4-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole?
4-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 360.44 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanylmethyl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 17391305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).