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

C16H16N4O2 — CID 5405991

IUPAC2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
SMILESCc1ccc(/C=N\NC(=O)Cn2c(C)nc3ccccc32)o1
InChIInChI=1S/C16H16N4O2/c1-11-7-8-13(22-11)9-17-19-16(21)10-20-12(2)18-14-5-3-4-6-15(14)20/h3-9H,10H2,1-2H3,(H,19,21)/b17-9-
InChIKeyUQQJHKDMSHKCRX-MFOYZWKCSA-N
MW296.33 g/mol
LogP2.40
Rot. Bonds4

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

2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide (PubChem CID 5405991) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
PubChem CID5405991
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide
SMILESCc1ccc(/C=N\NC(=O)Cn2c(C)nc3ccccc32)o1
InChIInChI=1S/C16H16N4O2/c1-11-7-8-13(22-11)9-17-19-16(21)10-20-12(2)18-14-5-3-4-6-15(14)20/h3-9H,10H2,1-2H3,(H,19,21)/b17-9-
InChIKeyUQQJHKDMSHKCRX-MFOYZWKCSA-N
XLogP2.40
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.40
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-[3-(1-ethyl-1H-benzimidazol-2-yl)propyl]furan-2-carboxamide
CID 3164555
N-[(E)-furan-2-ylmethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 5344429
2-Furan-2-yl-1-furan-2-ylmethyl-1H-benzoimidazole
CID 650866
1-Methyl-2-(5-methyl-2-furanyl)-1H-benzimidazole
CID 806167
(E)-N-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 1618323
N-[2-(1-propylbenzimidazol-2-yl)ethyl]furan-2-carboxamide
CID 3164519
N-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 3164520
1-methyl-N-[(5-methylfuran-2-yl)methyl]-1H-benzimidazol-2-amine
CID 3948747
N-[2-(1-butyl-1H-benzimidazol-2-yl)ethyl]furan-2-carboxamide
CID 4754591
1-[5-[(E)-2-(1-methylbenzimidazol-2-yl)ethenyl]furan-2-yl]ethanone
CID 5726945
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-furan-2-ylmethylideneamino]acetamide
CID 6886508
N'-[(E)-(5-methyl-2-furyl)methylidene]-1H-benzimidazole-6-carbohydrazide
CID 9557777

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide (CID 5405991) is 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide is Cc1ccc(/C=N\NC(=O)Cn2c(C)nc3ccccc32)o1.
What is the InChIKey of 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide?
The InChIKey is UQQJHKDMSHKCRX-MFOYZWKCSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-11-7-8-13(22-11)9-17-19-16(21)10-20-12(2)18-14-5-3-4-6-15(14)20/h3-9H,10H2,1-2H3,(H,19,21)/b17-9-.
What are the key properties of 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide?
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide has a molecular weight of 296.33 g/mol, XLogP of 2.40, 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-[(Z)-(5-methylfuran-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 5405991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).