2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide

C19H18N4OS — CID 6864653

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
SMILESCC(=C/c1ccccc1)/C=N/NC(=O)CSc1nc2ccccc2[nH]1
InChIInChI=1S/C19H18N4OS/c1-14(11-15-7-3-2-4-8-15)12-20-23-18(24)13-25-19-21-16-9-5-6-10-17(16)22-19/h2-12H,13H2,1H3,(H,21,22)(H,23,24)/b14-11-,20-12+
InChIKeyKJSVTCUSILHPSB-BHFKYQIGSA-N
MW350.45 g/mol
LogP3.86
Rot. Bonds6

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide (PubChem CID 6864653) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
PubChem CID6864653
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
SMILESCC(=C/c1ccccc1)/C=N/NC(=O)CSc1nc2ccccc2[nH]1
InChIInChI=1S/C19H18N4OS/c1-14(11-15-7-3-2-4-8-15)12-20-23-18(24)13-25-19-21-16-9-5-6-10-17(16)22-19/h2-12H,13H2,1H3,(H,21,22)(H,23,24)/b14-11-,20-12+
InChIKeyKJSVTCUSILHPSB-BHFKYQIGSA-N
XLogP3.86
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110338045
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 5399990
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-phenylethylideneamino]acetamide
CID 5391782
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(3-methoxyphenyl)methylideneamino]acetamide
CID 591089
2-(1H-benzimidazol-2-ylsulfanyl)-N-[4-(2-phenylethenyl)phenyl]acetamide
CID 2881771
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2-fluorophenyl)methylideneamino]acetamide
CID 696957
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2-iodophenyl)methylideneamino]acetamide
CID 1202097
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6865120
N-[(E)-benzylideneamino]-2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 15576724
propan-2-yl 4-[(E)-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate
CID 46300570
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(3-chloro-4-hydroxyphenyl)methylideneamino]acetamide
CID 136786937
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]acetamide
CID 6899123

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide (CID 6864653) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide is CC(=C/c1ccccc1)/C=N/NC(=O)CSc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
The InChIKey is KJSVTCUSILHPSB-BHFKYQIGSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-14(11-15-7-3-2-4-8-15)12-20-23-18(24)13-25-19-21-16-9-5-6-10-17(16)22-19/h2-12H,13H2,1H3,(H,21,22)(H,23,24)/b14-11-,20-12+.
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide has a molecular weight of 350.45 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide is sourced from PubChem (CID 6864653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).