1-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]formamide

C11H10N4O2 — CID 115172542

IUPAC1-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]formamide
SMILESN#CC(=O)NCCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H10N4O2/c12-6-10(16)13-4-3-7-1-2-8-9(5-7)15-11(17)14-8/h1-2,5H,3-4H2,(H,13,16)(H2,14,15,17)
InChIKeyPYLRVEVDZHDAAW-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.04
Rot. Bonds3

About 1-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]formamide

1-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]formamide (PubChem CID 115172542) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]formamide.

Molecular Properties

Compound Name1-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]formamide
PubChem CID115172542
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name1-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]formamide
SMILESN#CC(=O)NCCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H10N4O2/c12-6-10(16)13-4-3-7-1-2-8-9(5-7)15-11(17)14-8/h1-2,5H,3-4H2,(H,13,16)(H2,14,15,17)
InChIKeyPYLRVEVDZHDAAW-UHFFFAOYSA-N
XLogP0.04
TPSA101.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
CID 115192948
3-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 110791169
N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-2-phenylacetamide
CID 110791178
1-tert-butyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
CID 110776173
2-(4-methylphenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide
CID 110791217
4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 110791167
4-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]butanenitrile
CID 115231960
5-[2-(3-hydroxypropylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 115217079
N-[2-(4-bromophenyl)ethyl]-1-cyanoformamide
CID 115172450
N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110791177
1-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]formamide
CID 115172488
1-cyano-N-[2-(6-methylnaphthalen-2-yl)ethyl]formamide
CID 115172582

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]formamide?
The IUPAC name of 1-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]formamide (CID 115172542) is 1-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]formamide.
What is the SMILES notation for 1-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]formamide?
The canonical SMILES for 1-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]formamide is N#CC(=O)NCCc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 1-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]formamide?
The InChIKey is PYLRVEVDZHDAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c12-6-10(16)13-4-3-7-1-2-8-9(5-7)15-11(17)14-8/h1-2,5H,3-4H2,(H,13,16)(H2,14,15,17).
What are the key properties of 1-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]formamide?
1-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]formamide has a molecular weight of 230.23 g/mol, XLogP of 0.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]formamide is sourced from PubChem (CID 115172542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).