2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide

C22H21N5OS — CID 7043316

IUPAC2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@](C)(C#N)NC(=O)CSc1nc2ccccc2c2nc3ccccc3n12
InChIInChI=1S/C22H21N5OS/c1-14(2)22(3,13-23)26-19(28)12-29-21-25-16-9-5-4-8-15(16)20-24-17-10-6-7-11-18(17)27(20)21/h4-11,14H,12H2,1-3H3,(H,26,28)/t22-/m1/s1
InChIKeyAQDQRHSIZRHJJM-JOCHJYFZSA-N
MW403.51 g/mol
LogP4.18
Rot. Bonds5

About 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide

2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide (PubChem CID 7043316) has the molecular formula C22H21N5OS and a molecular weight of 403.51 g/mol. Its IUPAC name is 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
PubChem CID7043316
Molecular FormulaC22H21N5OS
Molecular Weight403.51 g/mol
Exact Mass403.15
IUPAC Name2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@](C)(C#N)NC(=O)CSc1nc2ccccc2c2nc3ccccc3n12
InChIInChI=1S/C22H21N5OS/c1-14(2)22(3,13-23)26-19(28)12-29-21-25-16-9-5-4-8-15(16)20-24-17-10-6-7-11-18(17)27(20)21/h4-11,14H,12H2,1-3H3,(H,26,28)/t22-/m1/s1
InChIKeyAQDQRHSIZRHJJM-JOCHJYFZSA-N
XLogP4.18
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide with MolForge

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Related Compounds

N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 25343817
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 7875967
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 2624633
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetamide
CID 2617596
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(2-phenylpropyl)acetamide
CID 18272930
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-(3-methylbutyl)acetamide
CID 4790109
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 7988466
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2118898
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[3-(2,4-difluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2080836
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-cyclopentylacetamide
CID 5025656
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(4-bromophenyl)methyl]acetamide
CID 126832304
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 2650911

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide (CID 7043316) is 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide is CC(C)[C@@](C)(C#N)NC(=O)CSc1nc2ccccc2c2nc3ccccc3n12.
What is the InChIKey of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide?
The InChIKey is AQDQRHSIZRHJJM-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H21N5OS/c1-14(2)22(3,13-23)26-19(28)12-29-21-25-16-9-5-4-8-15(16)20-24-17-10-6-7-11-18(17)27(20)21/h4-11,14H,12H2,1-3H3,(H,26,28)/t22-/m1/s1.
What are the key properties of 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide?
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide has a molecular weight of 403.51 g/mol, XLogP of 4.18, 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-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 7043316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).