2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(furan-2-ylmethyl)butanamide

C23H20N4O2S — CID 3547036

IUPAC2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(furan-2-ylmethyl)butanamide
SMILESCCC(Sc1nc2ccccc2c2nc3ccccc3n12)C(=O)NCc1ccco1
InChIInChI=1S/C23H20N4O2S/c1-2-20(22(28)24-14-15-8-7-13-29-15)30-23-26-17-10-4-3-9-16(17)21-25-18-11-5-6-12-19(18)27(21)23/h3-13,20H,2,14H2,1H3,(H,24,28)
InChIKeyPVHFINCEPYDJLT-UHFFFAOYSA-N
MW416.51 g/mol
LogP4.82
Rot. Bonds6

About 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(furan-2-ylmethyl)butanamide

2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(furan-2-ylmethyl)butanamide (PubChem CID 3547036) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(furan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(furan-2-ylmethyl)butanamide
PubChem CID3547036
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC Name2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(furan-2-ylmethyl)butanamide
SMILESCCC(Sc1nc2ccccc2c2nc3ccccc3n12)C(=O)NCc1ccco1
InChIInChI=1S/C23H20N4O2S/c1-2-20(22(28)24-14-15-8-7-13-29-15)30-23-26-17-10-4-3-9-16(17)21-25-18-11-5-6-12-19(18)27(21)23/h3-13,20H,2,14H2,1H3,(H,24,28)
InChIKeyPVHFINCEPYDJLT-UHFFFAOYSA-N
XLogP4.82
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(furan-2-ylmethyl)butanamide?
The IUPAC name of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(furan-2-ylmethyl)butanamide (CID 3547036) is 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(furan-2-ylmethyl)butanamide.
What is the SMILES notation for 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(furan-2-ylmethyl)butanamide?
The canonical SMILES for 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(furan-2-ylmethyl)butanamide is CCC(Sc1nc2ccccc2c2nc3ccccc3n12)C(=O)NCc1ccco1.
What is the InChIKey of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(furan-2-ylmethyl)butanamide?
The InChIKey is PVHFINCEPYDJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-2-20(22(28)24-14-15-8-7-13-29-15)30-23-26-17-10-4-3-9-16(17)21-25-18-11-5-6-12-19(18)27(21)23/h3-13,20H,2,14H2,1H3,(H,24,28).
What are the key properties of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(furan-2-ylmethyl)butanamide?
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(furan-2-ylmethyl)butanamide has a molecular weight of 416.51 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(furan-2-ylmethyl)butanamide is sourced from PubChem (CID 3547036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).