2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide

C26H25ClN4O3S — CID 6179126

IUPAC2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
SMILESCOc1ccc(/C(C)=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc1OC
InChIInChI=1S/C26H25ClN4O3S/c1-17(18-12-13-23(33-2)24(14-18)34-3)29-30-25(32)16-35-26-28-21-10-6-7-11-22(21)31(26)15-19-8-4-5-9-20(19)27/h4-14H,15-16H2,1-3H3,(H,30,32)/b29-17-
InChIKeyIYEYXKYOICDYJH-RHANQZHGSA-N
MW509.03 g/mol
LogP5.39
Rot. Bonds9

About 2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide

2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide (PubChem CID 6179126) has the molecular formula C26H25ClN4O3S and a molecular weight of 509.03 g/mol. Its IUPAC name is 2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
PubChem CID6179126
Molecular FormulaC26H25ClN4O3S
Molecular Weight509.03 g/mol
Exact Mass508.13
IUPAC Name2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
SMILESCOc1ccc(/C(C)=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc1OC
InChIInChI=1S/C26H25ClN4O3S/c1-17(18-12-13-23(33-2)24(14-18)34-3)29-30-25(32)16-35-26-28-21-10-6-7-11-22(21)31(26)15-19-8-4-5-9-20(19)27/h4-14H,15-16H2,1-3H3,(H,30,32)/b29-17-
InChIKeyIYEYXKYOICDYJH-RHANQZHGSA-N
XLogP5.39
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.03
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
CID 6082659
2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide
CID 135558972
2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 1243265
2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(E)-(2-fluoro-4,5-dimethoxyphenyl)methylideneamino]acetamide
CID 44538058
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
CID 4195477
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]sulfanylacetamide
CID 6002006
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16979744
2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]acetamide
CID 136689651
N-[1-(2-chlorophenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 3819255
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16985698
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5344545
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]acetamide
CID 135544865

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide (CID 6179126) is 2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide is COc1ccc(/C(C)=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc1OC.
What is the InChIKey of 2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide?
The InChIKey is IYEYXKYOICDYJH-RHANQZHGSA-N. The full InChI is InChI=1S/C26H25ClN4O3S/c1-17(18-12-13-23(33-2)24(14-18)34-3)29-30-25(32)16-35-26-28-21-10-6-7-11-22(21)31(26)15-19-8-4-5-9-20(19)27/h4-14H,15-16H2,1-3H3,(H,30,32)/b29-17-.
What are the key properties of 2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide?
2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide has a molecular weight of 509.03 g/mol, XLogP of 5.39, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 6179126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).