2-[2-(cyanomethyl)benzimidazol-1-yl]-N-ethylpropanamide

C14H16N4O — CID 63638092

IUPAC2-[2-(cyanomethyl)benzimidazol-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)C(C)n1c(CC#N)nc2ccccc21
InChIInChI=1S/C14H16N4O/c1-3-16-14(19)10(2)18-12-7-5-4-6-11(12)17-13(18)8-9-15/h4-7,10H,3,8H2,1-2H3,(H,16,19)
InChIKeyQTZAGSRKQFDAMW-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.80
Rot. Bonds4

About 2-[2-(cyanomethyl)benzimidazol-1-yl]-N-ethylpropanamide

2-[2-(cyanomethyl)benzimidazol-1-yl]-N-ethylpropanamide (PubChem CID 63638092) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[2-(cyanomethyl)benzimidazol-1-yl]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[2-(cyanomethyl)benzimidazol-1-yl]-N-ethylpropanamide
PubChem CID63638092
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-[2-(cyanomethyl)benzimidazol-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)C(C)n1c(CC#N)nc2ccccc21
InChIInChI=1S/C14H16N4O/c1-3-16-14(19)10(2)18-12-7-5-4-6-11(12)17-13(18)8-9-15/h4-7,10H,3,8H2,1-2H3,(H,16,19)
InChIKeyQTZAGSRKQFDAMW-UHFFFAOYSA-N
XLogP1.80
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminobenzimidazol-1-yl)-N-ethylpropanamide
CID 61480171
2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile
CID 55247145
2-(1-but-3-en-2-ylbenzimidazol-2-yl)acetonitrile
CID 63637927
2-[2-(cyanomethyl)benzimidazol-1-yl]-3-methoxypropanehydrazide
CID 103229872
2-[2-(2-chloroethyl)-6-cyanobenzimidazol-1-yl]-N-ethylpropanamide
CID 104715559
(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid
CID 7424145
2-(1-heptan-3-ylbenzimidazol-2-yl)acetonitrile
CID 123409939
2-[2-(2-aminoethyl)benzimidazol-1-yl]-N-methylpropanamide
CID 63636686
(2S)-2-(2-ethylbenzimidazol-1-yl)propanamide
CID 94671511
2-(2-methylbenzimidazol-1-yl)-N-prop-2-enylpropanamide
CID 78913706
N-[(4-fluorophenyl)methyl]-2-(2-methylbenzimidazol-1-yl)propanamide
CID 134102969
2-[2-(chloromethyl)-5-iodobenzimidazol-1-yl]-N-ethylpropanamide
CID 66080655

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyanomethyl)benzimidazol-1-yl]-N-ethylpropanamide?
The IUPAC name of 2-[2-(cyanomethyl)benzimidazol-1-yl]-N-ethylpropanamide (CID 63638092) is 2-[2-(cyanomethyl)benzimidazol-1-yl]-N-ethylpropanamide.
What is the SMILES notation for 2-[2-(cyanomethyl)benzimidazol-1-yl]-N-ethylpropanamide?
The canonical SMILES for 2-[2-(cyanomethyl)benzimidazol-1-yl]-N-ethylpropanamide is CCNC(=O)C(C)n1c(CC#N)nc2ccccc21.
What is the InChIKey of 2-[2-(cyanomethyl)benzimidazol-1-yl]-N-ethylpropanamide?
The InChIKey is QTZAGSRKQFDAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-3-16-14(19)10(2)18-12-7-5-4-6-11(12)17-13(18)8-9-15/h4-7,10H,3,8H2,1-2H3,(H,16,19).
What are the key properties of 2-[2-(cyanomethyl)benzimidazol-1-yl]-N-ethylpropanamide?
2-[2-(cyanomethyl)benzimidazol-1-yl]-N-ethylpropanamide has a molecular weight of 256.31 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyanomethyl)benzimidazol-1-yl]-N-ethylpropanamide is sourced from PubChem (CID 63638092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).