N-(5-bromo-1,3-thiazol-2-yl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide

C18H13BrN4OS2 — CID 23800004

IUPACN-(5-bromo-1,3-thiazol-2-yl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ncc(Br)s1
InChIInChI=1S/C18H13BrN4OS2/c19-15-10-20-17(26-15)22-16(24)11-25-18-21-13-8-4-5-9-14(13)23(18)12-6-2-1-3-7-12/h1-10H,11H2,(H,20,22,24)
InChIKeyVUFNYULSGZANQJ-UHFFFAOYSA-N
MW445.37 g/mol
LogP4.98
Rot. Bonds5

About N-(5-bromo-1,3-thiazol-2-yl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide

N-(5-bromo-1,3-thiazol-2-yl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 23800004) has the molecular formula C18H13BrN4OS2 and a molecular weight of 445.37 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID23800004
Molecular FormulaC18H13BrN4OS2
Molecular Weight445.37 g/mol
Exact Mass443.97
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ncc(Br)s1
InChIInChI=1S/C18H13BrN4OS2/c19-15-10-20-17(26-15)22-16(24)11-25-18-21-13-8-4-5-9-14(13)23(18)12-6-2-1-3-7-12/h1-10H,11H2,(H,20,22,24)
InChIKeyVUFNYULSGZANQJ-UHFFFAOYSA-N
XLogP4.98
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.37
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4241104
N-(2-chlorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4097321
2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide
CID 3620741
N-(2-methoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4076594
N-(3,4-dimethoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 5072575
N-(dicyclopropylmethyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 30906594
2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 43068208
N-(2-hydroxyphenyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 155969389
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 25343817
N-(5-chloro-2-cyanophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 3939982
N-[2-(4-chlorophenyl)ethyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 23940336
2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 23739711

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide (CID 23800004) is N-(5-bromo-1,3-thiazol-2-yl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide is O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ncc(Br)s1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is VUFNYULSGZANQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN4OS2/c19-15-10-20-17(26-15)22-16(24)11-25-18-21-13-8-4-5-9-14(13)23(18)12-6-2-1-3-7-12/h1-10H,11H2,(H,20,22,24).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide?
N-(5-bromo-1,3-thiazol-2-yl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 445.37 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 23800004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).