N-(3-cyanophenyl)-2-(2-prop-2-enylsulfanylbenzimidazol-1-yl)acetamide

C19H16N4OS — CID 4784969

IUPACN-(3-cyanophenyl)-2-(2-prop-2-enylsulfanylbenzimidazol-1-yl)acetamide
SMILESC=CCSc1nc2ccccc2n1CC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H16N4OS/c1-2-10-25-19-22-16-8-3-4-9-17(16)23(19)13-18(24)21-15-7-5-6-14(11-15)12-20/h2-9,11H,1,10,13H2,(H,21,24)
InChIKeyRCINHNBBFGXASN-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.82
Rot. Bonds6

About N-(3-cyanophenyl)-2-(2-prop-2-enylsulfanylbenzimidazol-1-yl)acetamide

N-(3-cyanophenyl)-2-(2-prop-2-enylsulfanylbenzimidazol-1-yl)acetamide (PubChem CID 4784969) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(2-prop-2-enylsulfanylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(2-prop-2-enylsulfanylbenzimidazol-1-yl)acetamide
PubChem CID4784969
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC NameN-(3-cyanophenyl)-2-(2-prop-2-enylsulfanylbenzimidazol-1-yl)acetamide
SMILESC=CCSc1nc2ccccc2n1CC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C19H16N4OS/c1-2-10-25-19-22-16-8-3-4-9-17(16)23(19)13-18(24)21-15-7-5-6-14(11-15)12-20/h2-9,11H,1,10,13H2,(H,21,24)
InChIKeyRCINHNBBFGXASN-UHFFFAOYSA-N
XLogP3.82
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyanophenyl)-2-(2-propylbenzimidazol-1-yl)acetamide
CID 39148036
N-(3-cyanophenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
CID 2339916
2-[2-(2-anilino-2-oxoethyl)sulfanylbenzimidazol-1-yl]-N-phenylacetamide
CID 21177802
2-[3-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanyl-N-(3-cyanophenyl)acetamide
CID 23790391
(2S)-N-(3-cyanophenyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide
CID 7224544
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 112780292
methyl 2-[2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]acetate
CID 7647415
2-[2-(2-methylpropylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide
CID 25330591
N-(3-cyanophenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7991526
2-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]-N-phenylacetamide
CID 17027908
N-(3-cyanophenyl)-2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 63768495
2-[2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 46347596

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(2-prop-2-enylsulfanylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(2-prop-2-enylsulfanylbenzimidazol-1-yl)acetamide (CID 4784969) is N-(3-cyanophenyl)-2-(2-prop-2-enylsulfanylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(2-prop-2-enylsulfanylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(2-prop-2-enylsulfanylbenzimidazol-1-yl)acetamide is C=CCSc1nc2ccccc2n1CC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(2-prop-2-enylsulfanylbenzimidazol-1-yl)acetamide?
The InChIKey is RCINHNBBFGXASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-2-10-25-19-22-16-8-3-4-9-17(16)23(19)13-18(24)21-15-7-5-6-14(11-15)12-20/h2-9,11H,1,10,13H2,(H,21,24).
What are the key properties of N-(3-cyanophenyl)-2-(2-prop-2-enylsulfanylbenzimidazol-1-yl)acetamide?
N-(3-cyanophenyl)-2-(2-prop-2-enylsulfanylbenzimidazol-1-yl)acetamide has a molecular weight of 348.43 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(2-prop-2-enylsulfanylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 4784969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).