N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide

C19H17N5O3S — CID 135417536

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)CSc3nc4ccccc4c(=O)[nH]3)ccc21
InChIInChI=1S/C19H17N5O3S/c1-23-14-8-7-11(9-15(14)24(2)19(23)27)20-16(25)10-28-18-21-13-6-4-3-5-12(13)17(26)22-18/h3-9H,10H2,1-2H3,(H,20,25)(H,21,22,26)
InChIKeyJBSSWIPPQJXHJP-UHFFFAOYSA-N
MW395.44 g/mol
LogP1.84
Rot. Bonds4

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide (PubChem CID 135417536) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
PubChem CID135417536
Molecular FormulaC19H17N5O3S
Molecular Weight395.44 g/mol
Exact Mass395.11
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)CSc3nc4ccccc4c(=O)[nH]3)ccc21
InChIInChI=1S/C19H17N5O3S/c1-23-14-8-7-11(9-15(14)24(2)19(23)27)20-16(25)10-28-18-21-13-6-4-3-5-12(13)17(26)22-18/h3-9H,10H2,1-2H3,(H,20,25)(H,21,22,26)
InChIKeyJBSSWIPPQJXHJP-UHFFFAOYSA-N
XLogP1.84
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide (CID 135417536) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide is Cn1c(=O)n(C)c2cc(NC(=O)CSc3nc4ccccc4c(=O)[nH]3)ccc21.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
The InChIKey is JBSSWIPPQJXHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S/c1-23-14-8-7-11(9-15(14)24(2)19(23)27)20-16(25)10-28-18-21-13-6-4-3-5-12(13)17(26)22-18/h3-9H,10H2,1-2H3,(H,20,25)(H,21,22,26).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide has a molecular weight of 395.44 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135417536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).