2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide

C17H18N4O2S — CID 5392838

IUPAC2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
SMILESCCn1c(SCC(=O)N/N=C\c2ccc(C)o2)nc2ccccc21
InChIInChI=1S/C17H18N4O2S/c1-3-21-15-7-5-4-6-14(15)19-17(21)24-11-16(22)20-18-10-13-9-8-12(2)23-13/h4-10H,3,11H2,1-2H3,(H,20,22)/b18-10-
InChIKeyMRGQPWUILIZTBK-ZDLGFXPLSA-N
MW342.42 g/mol
LogP3.20
Rot. Bonds6

About 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide

2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide (PubChem CID 5392838) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
PubChem CID5392838
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
SMILESCCn1c(SCC(=O)N/N=C\c2ccc(C)o2)nc2ccccc21
InChIInChI=1S/C17H18N4O2S/c1-3-21-15-7-5-4-6-14(15)19-17(21)24-11-16(22)20-18-10-13-9-8-12(2)23-13/h4-10H,3,11H2,1-2H3,(H,20,22)/b18-10-
InChIKeyMRGQPWUILIZTBK-ZDLGFXPLSA-N
XLogP3.20
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.20
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-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 136757744
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(2,4,6-trimethoxyphenyl)methylideneamino]acetamide
CID 5450693
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 1185603
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(E)-(2-hydroxy-5-methylideneboranylphenyl)methylideneamino]acetamide
CID 172961854
N-[(Z)-benzylideneamino]-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 5469328
N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 135987751
N-[(E)-furan-2-ylmethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 5344429
2-(benzimidazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 5395175
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
CID 10363356
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 5450407
2-(1-ethylbenzimidazol-2-yl)sulfanylacetic acid
CID 720898
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(E)-(4-bromophenyl)methylideneamino]acetamide
CID 5344448

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide (CID 5392838) is 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide is CCn1c(SCC(=O)N/N=C\c2ccc(C)o2)nc2ccccc21.
What is the InChIKey of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide?
The InChIKey is MRGQPWUILIZTBK-ZDLGFXPLSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-3-21-15-7-5-4-6-14(15)19-17(21)24-11-16(22)20-18-10-13-9-8-12(2)23-13/h4-10H,3,11H2,1-2H3,(H,20,22)/b18-10-.
What are the key properties of 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide?
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide has a molecular weight of 342.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 5392838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).