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

C17H14N4O2 — CID 110791169

IUPAC3-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
SMILESN#Cc1cccc(C(=O)NCCc2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C17H14N4O2/c18-10-12-2-1-3-13(8-12)16(22)19-7-6-11-4-5-14-15(9-11)21-17(23)20-14/h1-5,8-9H,6-7H2,(H,19,22)(H2,20,21,23)
InChIKeyALMZJTXXTOLFCR-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.70
Rot. Bonds4

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

3-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide (PubChem CID 110791169) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 3-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
PubChem CID110791169
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name3-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
SMILESN#Cc1cccc(C(=O)NCCc2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C17H14N4O2/c18-10-12-2-1-3-13(8-12)16(22)19-7-6-11-4-5-14-15(9-11)21-17(23)20-14/h1-5,8-9H,6-7H2,(H,19,22)(H2,20,21,23)
InChIKeyALMZJTXXTOLFCR-UHFFFAOYSA-N
XLogP1.70
TPSA101.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-3-cyanobenzamide
CID 31251030
4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 110791167
1-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]formamide
CID 115172542
3-cyano-N-[2-(2-hydroxyphenyl)ethyl]benzamide
CID 110605229
3-cyano-N-[2-(4-methoxy-3-methylphenyl)ethyl]benzamide
CID 110787410
N-[2-(3-chloro-4-methoxyphenyl)ethyl]-3-cyanobenzamide
CID 110787591
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692315
N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-2-phenylacetamide
CID 110791178
N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide
CID 78993904
3-cyano-N-(2-methoxyethyl)benzamide
CID 24698142
3-cyano-N-(3-oxopropyl)benzamide
CID 166591775
1-amino-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
CID 115192948

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide?
The IUPAC name of 3-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide (CID 110791169) is 3-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide is N#Cc1cccc(C(=O)NCCc2ccc3[nH]c(=O)[nH]c3c2)c1.
What is the InChIKey of 3-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide?
The InChIKey is ALMZJTXXTOLFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c18-10-12-2-1-3-13(8-12)16(22)19-7-6-11-4-5-14-15(9-11)21-17(23)20-14/h1-5,8-9H,6-7H2,(H,19,22)(H2,20,21,23).
What are the key properties of 3-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide?
3-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide has a molecular weight of 306.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 110791169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).