N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylacetamide

C20H23N5O2S — CID 6326506

IUPACN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylacetamide
SMILESCOc1ccc2c(c1)nc(SCC(=O)N/N=C\c1ccc(N(C)C)cc1)n2C
InChIInChI=1S/C20H23N5O2S/c1-24(2)15-7-5-14(6-8-15)12-21-23-19(26)13-28-20-22-17-11-16(27-4)9-10-18(17)25(20)3/h5-12H,13H2,1-4H3,(H,23,26)/b21-12-
InChIKeyNOIGIYBPWDZRGD-MTJSOVHGSA-N
MW397.50 g/mol
LogP2.89
Rot. Bonds7

About N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylacetamide

N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 6326506) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID6326506
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC NameN-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylacetamide
SMILESCOc1ccc2c(c1)nc(SCC(=O)N/N=C\c1ccc(N(C)C)cc1)n2C
InChIInChI=1S/C20H23N5O2S/c1-24(2)15-7-5-14(6-8-15)12-21-23-19(26)13-28-20-22-17-11-16(27-4)9-10-18(17)25(20)3/h5-12H,13H2,1-4H3,(H,23,26)/b21-12-
InChIKeyNOIGIYBPWDZRGD-MTJSOVHGSA-N
XLogP2.89
TPSA71.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil_di_alk(35)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 1354023
methyl 4-[[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]hydrazinylidene]methyl]benzoate
CID 1185074
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6867512
N-[(4-chlorophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 1354657
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-[[5-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 6371276
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-[(3-methylphenyl)methylideneamino]acetamide
CID 744970
2-[[4-amino-5-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 17049179
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 5450385
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 10363356
N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide
CID 1130777
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 5443957
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylacetamide (CID 6326506) is N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylacetamide is COc1ccc2c(c1)nc(SCC(=O)N/N=C\c1ccc(N(C)C)cc1)n2C.
What is the InChIKey of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is NOIGIYBPWDZRGD-MTJSOVHGSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-24(2)15-7-5-14(6-8-15)12-21-23-19(26)13-28-20-22-17-11-16(27-4)9-10-18(17)25(20)3/h5-12H,13H2,1-4H3,(H,23,26)/b21-12-.
What are the key properties of N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylacetamide?
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 397.50 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 6326506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).