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

C21H16N4O2S — CID 3238872

IUPAC2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1nc2ccccc2c2nc3ccccc3n12)NCc1ccco1
InChIInChI=1S/C21H16N4O2S/c26-19(22-12-14-6-5-11-27-14)13-28-21-24-16-8-2-1-7-15(16)20-23-17-9-3-4-10-18(17)25(20)21/h1-11H,12-13H2,(H,22,26)
InChIKeyHKWBEZOTINZVLA-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.04
Rot. Bonds5

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

2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 3238872) has the molecular formula C21H16N4O2S and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide
PubChem CID3238872
Molecular FormulaC21H16N4O2S
Molecular Weight388.45 g/mol
Exact Mass388.10
IUPAC Name2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSc1nc2ccccc2c2nc3ccccc3n12)NCc1ccco1
InChIInChI=1S/C21H16N4O2S/c26-19(22-12-14-6-5-11-27-14)13-28-21-24-16-8-2-1-7-15(16)20-23-17-9-3-4-10-18(17)25(20)21/h1-11H,12-13H2,(H,22,26)
InChIKeyHKWBEZOTINZVLA-UHFFFAOYSA-N
XLogP4.04
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-[2-(Furan-2-yl)-5,6-dimethylbenzimidazol-1-yl]quinazoline-2,4-diamine
CID 67889361
1-(Furan-2-ylmethylamino)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 679754
2-[(2-cyclohexylquinazolin-4-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 1465905
N-[1-butyl-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-yl]furan-2-carboxamide
CID 1902320
2-Ethyl-1-[(2-furylmethyl)amino]-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 556949
2-{[4-allyl-5-(2-quinolinyl)-4H-1,2,4-triazol-3-yl]thio}-N-(2-furylmethyl)acetamide
CID 1094854
6-(5-Methylfuran-2-yl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline
CID 2997938
6-(Furan-2-yl)-6,12-dihydrobenzimidazolo[1,2-c]quinazoline
CID 2998157
17-(Furan-2-ylmethyl)-13-[(4-methoxyphenyl)methyl]-14-methyl-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
CID 659878
2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1H-imidazo[4,5-b]quinoxaline
CID 662008
2-amino-1-(2-fluorophenethyl)-N-(furan-2-ylmethyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
CID 2009147
Furan-2-ylmethyl-methyl-(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)-amine
CID 9905079

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide (CID 3238872) is 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide is O=C(CSc1nc2ccccc2c2nc3ccccc3n12)NCc1ccco1.
What is the InChIKey of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is HKWBEZOTINZVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2S/c26-19(22-12-14-6-5-11-27-14)13-28-21-24-16-8-2-1-7-15(16)20-23-17-9-3-4-10-18(17)25(20)21/h1-11H,12-13H2,(H,22,26).
What are the key properties of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide?
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 388.45 g/mol, XLogP of 4.04, 5 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)acetamide is sourced from PubChem (CID 3238872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).