3-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile

C16H20N4 — CID 82311578

IUPAC3-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile
SMILESCC(c1nc2ccccc2n1CCC#N)N1CCCC1
InChIInChI=1S/C16H20N4/c1-13(19-10-4-5-11-19)16-18-14-7-2-3-8-15(14)20(16)12-6-9-17/h2-3,7-8,13H,4-6,10-12H2,1H3
InChIKeyMFKQOGRSTIOKIJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.11
Rot. Bonds4

About 3-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile

3-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile (PubChem CID 82311578) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile
PubChem CID82311578
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name3-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile
SMILESCC(c1nc2ccccc2n1CCC#N)N1CCCC1
InChIInChI=1S/C16H20N4/c1-13(19-10-4-5-11-19)16-18-14-7-2-3-8-15(14)20(16)12-6-9-17/h2-3,7-8,13H,4-6,10-12H2,1H3
InChIKeyMFKQOGRSTIOKIJ-UHFFFAOYSA-N
XLogP3.11
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-ethyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile
CID 82311556
1-butyl-2-[(1S)-1-pyrrolidin-1-ylethyl]benzimidazole
CID 92735667
2-[1-(azepan-1-yl)ethyl]-1-hexylbenzimidazole
CID 18885264
2-[1-(azepan-1-yl)ethyl]-1-butylbenzimidazole
CID 18885259
1-(2-phenoxyethyl)-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole
CID 40634309
1-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]butan-2-amine
CID 82311441
1-[4-(4-methoxyphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole
CID 18885098
2-[(1S)-1-(azepan-1-yl)ethyl]-1-[2-(2-methoxyphenoxy)ethyl]benzimidazole
CID 96571436
2-[1-(azepan-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]benzimidazole
CID 18885276
N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]acetamide
CID 39948802
1-[4-(2,5-dimethylphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole
CID 18885088
1-[2-(3-methoxyphenoxy)ethyl]-2-[(1S)-1-piperidin-1-ylethyl]benzimidazole
CID 96571175

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile?
The IUPAC name of 3-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile (CID 82311578) is 3-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile.
What is the SMILES notation for 3-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile?
The canonical SMILES for 3-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile is CC(c1nc2ccccc2n1CCC#N)N1CCCC1.
What is the InChIKey of 3-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile?
The InChIKey is MFKQOGRSTIOKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-13(19-10-4-5-11-19)16-18-14-7-2-3-8-15(14)20(16)12-6-9-17/h2-3,7-8,13H,4-6,10-12H2,1H3.
What are the key properties of 3-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile?
3-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile has a molecular weight of 268.36 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile is sourced from PubChem (CID 82311578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).