N-[(4-methylphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide

C24H22N4OS — CID 70689683

IUPACN-[(4-methylphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide
SMILESCc1ccc(C=NNC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C24H22N4OS/c1-18-11-13-19(14-12-18)15-25-27-24(29)16-28-22-10-6-5-9-21(22)26-23(28)17-30-20-7-3-2-4-8-20/h2-15H,16-17H2,1H3,(H,27,29)
InChIKeySXXAMVHDVZZODY-UHFFFAOYSA-N
MW414.53 g/mol
LogP4.79
Rot. Bonds7

About N-[(4-methylphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide

N-[(4-methylphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide (PubChem CID 70689683) has the molecular formula C24H22N4OS and a molecular weight of 414.53 g/mol. Its IUPAC name is N-[(4-methylphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide
PubChem CID70689683
Molecular FormulaC24H22N4OS
Molecular Weight414.53 g/mol
Exact Mass414.15
IUPAC NameN-[(4-methylphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide
SMILESCc1ccc(C=NNC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C24H22N4OS/c1-18-11-13-19(14-12-18)15-25-27-24(29)16-28-22-10-6-5-9-21(22)26-23(28)17-30-20-7-3-2-4-8-20/h2-15H,16-17H2,1H3,(H,27,29)
InChIKeySXXAMVHDVZZODY-UHFFFAOYSA-N
XLogP4.79
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(2-methoxyphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 70689682
N-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 4173634
N-(4-methoxyphenyl)-2-[2-[(4-methylphenyl)sulfanylmethyl]benzimidazol-1-yl]acetamide
CID 1486493
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
CID 57333394
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 9121382
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121431
N-[(4-methylphenyl)methylideneamino]-3-phenylsulfanylpropanamide
CID 762054
N-(benzylideneamino)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 3673852
N-[(4-hydroxyphenyl)methylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 5165448
2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]sulfanyl-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 4227291
2-[2-[(4-chlorophenyl)sulfanylmethyl]benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 1486623
N-[(Z)-(3-fluorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121419

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[(4-methylphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide (CID 70689683) is N-[(4-methylphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[(4-methylphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[(4-methylphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide is Cc1ccc(C=NNC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of N-[(4-methylphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The InChIKey is SXXAMVHDVZZODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4OS/c1-18-11-13-19(14-12-18)15-25-27-24(29)16-28-22-10-6-5-9-21(22)26-23(28)17-30-20-7-3-2-4-8-20/h2-15H,16-17H2,1H3,(H,27,29).
What are the key properties of N-[(4-methylphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide?
N-[(4-methylphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide has a molecular weight of 414.53 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methylideneamino]-2-[2-(phenylsulfanylmethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 70689683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).