2-(2-methylbenzimidazol-1-yl)-N-(1-thiophen-2-ylethylideneamino)acetamide

C16H16N4OS — CID 781499

IUPAC2-(2-methylbenzimidazol-1-yl)-N-(1-thiophen-2-ylethylideneamino)acetamide
SMILESCC(=NNC(=O)Cn1c(C)nc2ccccc21)c1cccs1
InChIInChI=1S/C16H16N4OS/c1-11(15-8-5-9-22-15)18-19-16(21)10-20-12(2)17-13-6-3-4-7-14(13)20/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyWQVRZCNHDKGNAX-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.95
Rot. Bonds4

About 2-(2-methylbenzimidazol-1-yl)-N-(1-thiophen-2-ylethylideneamino)acetamide

2-(2-methylbenzimidazol-1-yl)-N-(1-thiophen-2-ylethylideneamino)acetamide (PubChem CID 781499) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 2-(2-methylbenzimidazol-1-yl)-N-(1-thiophen-2-ylethylideneamino)acetamide.

Molecular Properties

Compound Name2-(2-methylbenzimidazol-1-yl)-N-(1-thiophen-2-ylethylideneamino)acetamide
PubChem CID781499
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name2-(2-methylbenzimidazol-1-yl)-N-(1-thiophen-2-ylethylideneamino)acetamide
SMILESCC(=NNC(=O)Cn1c(C)nc2ccccc21)c1cccs1
InChIInChI=1S/C16H16N4OS/c1-11(15-8-5-9-22-15)18-19-16(21)10-20-12(2)17-13-6-3-4-7-14(13)20/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyWQVRZCNHDKGNAX-UHFFFAOYSA-N
XLogP2.95
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.95
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

2-(2-methylbenzimidazol-1-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide
CID 9121387
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121418
2-(2-methylbenzimidazol-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7755575
2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]sulfanyl-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 1243265
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121439
2-(2-methylbenzimidazol-1-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 7387968
3-(benzotriazol-1-yl)-N-(1-thiophen-2-ylethylideneamino)propanamide
CID 742351
N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 47131203
N-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 4173634
2-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
CID 6116253
2-(2-methylbenzimidazol-1-yl)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide
CID 781487
N,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide
CID 19685885

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-(1-thiophen-2-ylethylideneamino)acetamide?
The IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-(1-thiophen-2-ylethylideneamino)acetamide (CID 781499) is 2-(2-methylbenzimidazol-1-yl)-N-(1-thiophen-2-ylethylideneamino)acetamide.
What is the SMILES notation for 2-(2-methylbenzimidazol-1-yl)-N-(1-thiophen-2-ylethylideneamino)acetamide?
The canonical SMILES for 2-(2-methylbenzimidazol-1-yl)-N-(1-thiophen-2-ylethylideneamino)acetamide is CC(=NNC(=O)Cn1c(C)nc2ccccc21)c1cccs1.
What is the InChIKey of 2-(2-methylbenzimidazol-1-yl)-N-(1-thiophen-2-ylethylideneamino)acetamide?
The InChIKey is WQVRZCNHDKGNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-11(15-8-5-9-22-15)18-19-16(21)10-20-12(2)17-13-6-3-4-7-14(13)20/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-methylbenzimidazol-1-yl)-N-(1-thiophen-2-ylethylideneamino)acetamide?
2-(2-methylbenzimidazol-1-yl)-N-(1-thiophen-2-ylethylideneamino)acetamide has a molecular weight of 312.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzimidazol-1-yl)-N-(1-thiophen-2-ylethylideneamino)acetamide is sourced from PubChem (CID 781499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).