N-(3H-benzimidazol-5-yl)-2-isocyanoacetamide

C10H8N4O — CID 108814811

IUPACN-(3H-benzimidazol-5-yl)-2-isocyanoacetamide
SMILES[C-]#[N+]CC(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C10H8N4O/c1-11-5-10(15)14-7-2-3-8-9(4-7)13-6-12-8/h2-4,6H,5H2,(H,12,13)(H,14,15)
InChIKeyBAOIDRDDXQLCMY-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.42
Rot. Bonds2

About N-(3H-benzimidazol-5-yl)-2-isocyanoacetamide

N-(3H-benzimidazol-5-yl)-2-isocyanoacetamide (PubChem CID 108814811) has the molecular formula C10H8N4O and a molecular weight of 200.20 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-2-isocyanoacetamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-2-isocyanoacetamide
PubChem CID108814811
Molecular FormulaC10H8N4O
Molecular Weight200.20 g/mol
Exact Mass200.07
IUPAC NameN-(3H-benzimidazol-5-yl)-2-isocyanoacetamide
SMILES[C-]#[N+]CC(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C10H8N4O/c1-11-5-10(15)14-7-2-3-8-9(4-7)13-6-12-8/h2-4,6H,5H2,(H,12,13)(H,14,15)
InChIKeyBAOIDRDDXQLCMY-UHFFFAOYSA-N
XLogP1.42
TPSA62.14 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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N-(3H-benzimidazol-5-yl)-4-hydroxybutanamide
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3H-benzimidazol-5-ylcarbamothioic S-acid
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N-(3H-benzimidazol-5-yl)carbamoyl chloride
CID 115194411
N-(3H-benzimidazol-5-yl)prop-2-enamide
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1-amino-3-(3H-benzimidazol-5-yl)urea
CID 115192411
N-(3H-benzimidazol-5-yl)pyridine-4-carboxamide;hydrochloride
CID 110778958
N-(3H-benzimidazol-5-yl)-2-(4-methylphenoxy)acetamide
CID 110724326
1-(3H-benzimidazol-5-yl)-3-(4-hydroxyphenyl)urea
CID 108885789
N-(3H-benzimidazol-5-yl)-4-(methylamino)benzamide
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N-(3H-benzimidazol-5-yl)-2-pyrrolidin-3-ylacetamide
CID 115160286

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-2-isocyanoacetamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-2-isocyanoacetamide (CID 108814811) is N-(3H-benzimidazol-5-yl)-2-isocyanoacetamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-2-isocyanoacetamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-2-isocyanoacetamide is [C-]#[N+]CC(=O)Nc1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-2-isocyanoacetamide?
The InChIKey is BAOIDRDDXQLCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O/c1-11-5-10(15)14-7-2-3-8-9(4-7)13-6-12-8/h2-4,6H,5H2,(H,12,13)(H,14,15).
What are the key properties of N-(3H-benzimidazol-5-yl)-2-isocyanoacetamide?
N-(3H-benzimidazol-5-yl)-2-isocyanoacetamide has a molecular weight of 200.20 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-2-isocyanoacetamide is sourced from PubChem (CID 108814811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).