N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]acetamide

C14H16N4O — CID 39948802

IUPACN-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)N[C@H](C)c1nc2ccccc2n1CCC#N
InChIInChI=1S/C14H16N4O/c1-10(16-11(2)19)14-17-12-6-3-4-7-13(12)18(14)9-5-8-15/h3-4,6-7,10H,5,9H2,1-2H3,(H,16,19)/t10-/m1/s1
InChIKeyJCRXGBYBYYIOKF-SNVBAGLBSA-N
MW256.31 g/mol
LogP2.15
Rot. Bonds4

About N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]acetamide

N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]acetamide (PubChem CID 39948802) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]acetamide
PubChem CID39948802
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)N[C@H](C)c1nc2ccccc2n1CCC#N
InChIInChI=1S/C14H16N4O/c1-10(16-11(2)19)14-17-12-6-3-4-7-13(12)18(14)9-5-8-15/h3-4,6-7,10H,5,9H2,1-2H3,(H,16,19)/t10-/m1/s1
InChIKeyJCRXGBYBYYIOKF-SNVBAGLBSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide
CID 7023918
N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 25339903
N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]acetamide
CID 16968227
N-[(1S)-1-[1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]ethyl]acetamide
CID 25486343
N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16968118
N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide
CID 751155
N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16968171
N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide
CID 16968572
3-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile
CID 82311578
N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide
CID 7023923
2-[2-(1-acetamidoethyl)benzimidazol-1-yl]-N-cyclopropylacetamide
CID 17029875
N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16968167

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]acetamide (CID 39948802) is N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]acetamide is CC(=O)N[C@H](C)c1nc2ccccc2n1CCC#N.
What is the InChIKey of N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is JCRXGBYBYYIOKF-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10(16-11(2)19)14-17-12-6-3-4-7-13(12)18(14)9-5-8-15/h3-4,6-7,10H,5,9H2,1-2H3,(H,16,19)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]acetamide?
N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 256.31 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 39948802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).