6-(ethylcarbamoyl)benzimidazole-1-carbonyl iodide

C11H10IN3O2 — CID 170105840

IUPAC6-(ethylcarbamoyl)benzimidazole-1-carbonyl iodide
SMILESCCNC(=O)c1ccc2ncn(C(=O)I)c2c1
InChIInChI=1S/C11H10IN3O2/c1-2-13-10(16)7-3-4-8-9(5-7)15(6-14-8)11(12)17/h3-6H,2H2,1H3,(H,13,16)
InChIKeyUCICISUWVNSTNX-UHFFFAOYSA-N
MW343.12 g/mol
LogP2.19
Rot. Bonds2

About 6-(ethylcarbamoyl)benzimidazole-1-carbonyl iodide

6-(ethylcarbamoyl)benzimidazole-1-carbonyl iodide (PubChem CID 170105840) has the molecular formula C11H10IN3O2 and a molecular weight of 343.12 g/mol. Its IUPAC name is 6-(ethylcarbamoyl)benzimidazole-1-carbonyl iodide.

Molecular Properties

Compound Name6-(ethylcarbamoyl)benzimidazole-1-carbonyl iodide
PubChem CID170105840
Molecular FormulaC11H10IN3O2
Molecular Weight343.12 g/mol
Exact Mass342.98
IUPAC Name6-(ethylcarbamoyl)benzimidazole-1-carbonyl iodide
SMILESCCNC(=O)c1ccc2ncn(C(=O)I)c2c1
InChIInChI=1S/C11H10IN3O2/c1-2-13-10(16)7-3-4-8-9(5-7)15(6-14-8)11(12)17/h3-6H,2H2,1H3,(H,13,16)
InChIKeyUCICISUWVNSTNX-UHFFFAOYSA-N
XLogP2.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.12
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-N-hydroxybenzimidazole-5-carboxamide
CID 87266116
methyl 3-acetylbenzimidazole-5-carboxylate
CID 12795316
N,2,3-triethylquinoxaline-6-carboxamide
CID 22588073
N-ethyl-3-hydroxybenzamide
CID 13175248
N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzimidazole-5-carboxamide
CID 110469142
3-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 110469148
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzimidazole-5-carboxamide
CID 110469163
N-ethyl-3-methyl-2H-indazole-5-carboxamide
CID 58243589
ethane;N-ethyl-4-hydroxybenzamide
CID 144926309
N-ethylbenzamide
CID 160772566
N-ethyl-2,3-diphenylquinoxaline-6-carboxamide
CID 5261756
N-ethylisoquinoline-6-carboxamide
CID 110485080

Frequently Asked Questions

What is the IUPAC name of 6-(ethylcarbamoyl)benzimidazole-1-carbonyl iodide?
The IUPAC name of 6-(ethylcarbamoyl)benzimidazole-1-carbonyl iodide (CID 170105840) is 6-(ethylcarbamoyl)benzimidazole-1-carbonyl iodide.
What is the SMILES notation for 6-(ethylcarbamoyl)benzimidazole-1-carbonyl iodide?
The canonical SMILES for 6-(ethylcarbamoyl)benzimidazole-1-carbonyl iodide is CCNC(=O)c1ccc2ncn(C(=O)I)c2c1.
What is the InChIKey of 6-(ethylcarbamoyl)benzimidazole-1-carbonyl iodide?
The InChIKey is UCICISUWVNSTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN3O2/c1-2-13-10(16)7-3-4-8-9(5-7)15(6-14-8)11(12)17/h3-6H,2H2,1H3,(H,13,16).
What are the key properties of 6-(ethylcarbamoyl)benzimidazole-1-carbonyl iodide?
6-(ethylcarbamoyl)benzimidazole-1-carbonyl iodide has a molecular weight of 343.12 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylcarbamoyl)benzimidazole-1-carbonyl iodide is sourced from PubChem (CID 170105840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).