N-[(2-methoxyphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide

C24H22N4O2S — CID 70689682

IUPACN-[(2-methoxyphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide
SMILESCOc1ccccc1C=NNC(=O)Cn1c(CSc2ccccc2)nc2ccccc21
InChIInChI=1S/C24H22N4O2S/c1-30-22-14-8-5-9-18(22)15-25-27-24(29)16-28-21-13-7-6-12-20(21)26-23(28)17-31-19-10-3-2-4-11-19/h2-15H,16-17H2,1H3,(H,27,29)
InChIKeyNGQBJNOHYJVQIH-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.49
Rot. Bonds8

About N-[(2-methoxyphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide

N-[(2-methoxyphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide (PubChem CID 70689682) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide
PubChem CID70689682
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC NameN-[(2-methoxyphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide
SMILESCOc1ccccc1C=NNC(=O)Cn1c(CSc2ccccc2)nc2ccccc21
InChIInChI=1S/C24H22N4O2S/c1-30-22-14-8-5-9-18(22)15-25-27-24(29)16-28-21-13-7-6-12-20(21)26-23(28)17-31-19-10-3-2-4-11-19/h2-15H,16-17H2,1H3,(H,27,29)
InChIKeyNGQBJNOHYJVQIH-UHFFFAOYSA-N
XLogP4.49
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methylphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 70689683
N-[(2-methoxyphenyl)methylideneamino]-2-quinolin-2-ylsulfanylacetamide
CID 1376615
N-(4-methoxyphenyl)-2-[2-[(4-methylphenyl)sulfanylmethyl]benzimidazol-1-yl]acetamide
CID 1486493
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 1354661
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]acetamide
CID 9121317
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 3721695
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6864675
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 1387583
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 18282815
N-[(E)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 135549588
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 3669972
2-(2-ethylbenzimidazol-1-yl)-N-(2-methoxyphenyl)acetamide
CID 5023490

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide (CID 70689682) is N-[(2-methoxyphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide is COc1ccccc1C=NNC(=O)Cn1c(CSc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[(2-methoxyphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The InChIKey is NGQBJNOHYJVQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-30-22-14-8-5-9-18(22)15-25-27-24(29)16-28-21-13-7-6-12-20(21)26-23(28)17-31-19-10-3-2-4-11-19/h2-15H,16-17H2,1H3,(H,27,29).
What are the key properties of N-[(2-methoxyphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide?
N-[(2-methoxyphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide has a molecular weight of 430.53 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 70689682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).