N-[1-(1H-benzimidazol-2-yl)ethylideneamino]-2-cyanoacetamide

C12H11N5O — CID 137304921

IUPACN-[1-(1H-benzimidazol-2-yl)ethylideneamino]-2-cyanoacetamide
SMILESCC(=NNC(=O)CC#N)c1nc2ccccc2[nH]1
InChIInChI=1S/C12H11N5O/c1-8(16-17-11(18)6-7-13)12-14-9-4-2-3-5-10(9)15-12/h2-5H,6H2,1H3,(H,14,15)(H,17,18)
InChIKeyXAVKDFKONPFVHX-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.32
Rot. Bonds3

About N-[1-(1H-benzimidazol-2-yl)ethylideneamino]-2-cyanoacetamide

N-[1-(1H-benzimidazol-2-yl)ethylideneamino]-2-cyanoacetamide (PubChem CID 137304921) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethylideneamino]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethylideneamino]-2-cyanoacetamide
PubChem CID137304921
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethylideneamino]-2-cyanoacetamide
SMILESCC(=NNC(=O)CC#N)c1nc2ccccc2[nH]1
InChIInChI=1S/C12H11N5O/c1-8(16-17-11(18)6-7-13)12-14-9-4-2-3-5-10(9)15-12/h2-5H,6H2,1H3,(H,14,15)(H,17,18)
InChIKeyXAVKDFKONPFVHX-UHFFFAOYSA-N
XLogP1.32
TPSA93.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.32
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

1-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3-hydroxyurea
CID 135580435
N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3,4-dimethoxybenzamide
CID 135768548
2-cyano-N-[(Z)-1-(1H-indol-6-yl)ethylideneamino]acetamide
CID 6278267
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-phenylethylideneamino]acetamide
CID 5391782
ethyl 4-[(2Z)-2-[1H-benzimidazol-2-yl(cyano)methylidene]hydrazinyl]benzoate
CID 135555016
4-[2-[1H-benzimidazol-2-yl(cyano)methylidene]hydrazinyl]benzoic acid
CID 4094799
2-cyano-N-[(Z)-1-(4-iodophenyl)ethylideneamino]acetamide
CID 8022911
2-cyano-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5334027
3-(1H-benzimidazol-2-yl)-2-methyl-3-oxopropanenitrile
CID 163227911
N-[2-(1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-2-ium-3-yl]-2-cyanoacetamide
CID 2375089
[4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone
CID 70019507
2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[(Z)-1-(4-methylphenyl)ethylideneamino]oxybut-2-enenitrile
CID 135927564

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethylideneamino]-2-cyanoacetamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethylideneamino]-2-cyanoacetamide (CID 137304921) is N-[1-(1H-benzimidazol-2-yl)ethylideneamino]-2-cyanoacetamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethylideneamino]-2-cyanoacetamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethylideneamino]-2-cyanoacetamide is CC(=NNC(=O)CC#N)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethylideneamino]-2-cyanoacetamide?
The InChIKey is XAVKDFKONPFVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-8(16-17-11(18)6-7-13)12-14-9-4-2-3-5-10(9)15-12/h2-5H,6H2,1H3,(H,14,15)(H,17,18).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethylideneamino]-2-cyanoacetamide?
N-[1-(1H-benzimidazol-2-yl)ethylideneamino]-2-cyanoacetamide has a molecular weight of 241.25 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethylideneamino]-2-cyanoacetamide is sourced from PubChem (CID 137304921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).