2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide

C27H21N5OS — CID 3620741

IUPAC2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide
SMILESO=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C27H21N5OS/c33-26(28-20-15-17-22(18-16-20)31-30-21-9-3-1-4-10-21)19-34-27-29-24-13-7-8-14-25(24)32(27)23-11-5-2-6-12-23/h1-18H,19H2,(H,28,33)/b31-30+
InChIKeyZICINVDMWJYYPM-NVQSTNCTSA-N
MW463.57 g/mol
LogP7.17
Rot. Bonds7

About 2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide

2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide (PubChem CID 3620741) has the molecular formula C27H21N5OS and a molecular weight of 463.57 g/mol. Its IUPAC name is 2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide
PubChem CID3620741
Molecular FormulaC27H21N5OS
Molecular Weight463.57 g/mol
Exact Mass463.15
IUPAC Name2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide
SMILESO=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C27H21N5OS/c33-26(28-20-15-17-22(18-16-20)31-30-21-9-3-1-4-10-21)19-34-27-29-24-13-7-8-14-25(24)32(27)23-11-5-2-6-12-23/h1-18H,19H2,(H,28,33)/b31-30+
InChIKeyZICINVDMWJYYPM-NVQSTNCTSA-N
XLogP7.17
TPSA71.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.57
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 5072575
2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 23739711
2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenyldiazenylphenyl)acetamide
CID 4006533
N-(2-fluorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4241104
N-(2-chlorophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4097321
N-(2-methoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4076594
N-(4-acetamidophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 4543308
2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 43068208
N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4560229
N-[4-[(2S)-butan-2-yl]phenyl]-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 26888965
N-(5-bromo-1,3-thiazol-2-yl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 23800004
2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide
CID 21177802

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide?
The IUPAC name of 2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide (CID 3620741) is 2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide.
What is the SMILES notation for 2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide?
The canonical SMILES for 2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide is O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of 2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide?
The InChIKey is ZICINVDMWJYYPM-NVQSTNCTSA-N. The full InChI is InChI=1S/C27H21N5OS/c33-26(28-20-15-17-22(18-16-20)31-30-21-9-3-1-4-10-21)19-34-27-29-24-13-7-8-14-25(24)32(27)23-11-5-2-6-12-23/h1-18H,19H2,(H,28,33)/b31-30+.
What are the key properties of 2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide?
2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide has a molecular weight of 463.57 g/mol, XLogP of 7.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylbenzimidazol-2-yl)sulfanyl-N-(4-phenyldiazenylphenyl)acetamide is sourced from PubChem (CID 3620741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).