2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide

C22H23N3O2S — CID 5220329

IUPAC2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CSc1nc2ccccc2n1-c1ccc(OC)cc1
InChIInChI=1S/C22H23N3O2S/c1-4-14-24(15-5-2)21(26)16-28-22-23-19-8-6-7-9-20(19)25(22)17-10-12-18(27-3)13-11-17/h4-13H,1-2,14-16H2,3H3
InChIKeyGREOOZSGDAKBDR-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.33
Rot. Bonds9

About 2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide

2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide (PubChem CID 5220329) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide
PubChem CID5220329
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CSc1nc2ccccc2n1-c1ccc(OC)cc1
InChIInChI=1S/C22H23N3O2S/c1-4-14-24(15-5-2)21(26)16-28-22-23-19-8-6-7-9-20(19)25(22)17-10-12-18(27-3)13-11-17/h4-13H,1-2,14-16H2,3H3
InChIKeyGREOOZSGDAKBDR-UHFFFAOYSA-N
XLogP4.33
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methylbenzimidazol-2-yl)sulfanyl-N,N-bis(prop-2-enyl)acetamide
CID 84601631
2-[[4-(4-methoxyphenyl)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]-N,N-bis(prop-2-enyl)acetamide
CID 4828677
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide
CID 4809917
N-cyclopropyl-2-[[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]acetamide
CID 41298746
2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-1-morpholin-4-ylethanone
CID 4881241
N-(2,6-difluorophenyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 16538555
1-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one
CID 7224412
2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 17460556
2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
CID 7855833
methyl 1-[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate
CID 17476695
1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylethanone
CID 5157936
2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 7855843

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide (CID 5220329) is 2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CSc1nc2ccccc2n1-c1ccc(OC)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is GREOOZSGDAKBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-4-14-24(15-5-2)21(26)16-28-22-23-19-8-6-7-9-20(19)25(22)17-10-12-18(27-3)13-11-17/h4-13H,1-2,14-16H2,3H3.
What are the key properties of 2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide?
2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 393.51 g/mol, XLogP of 4.33, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 5220329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).