2-[5-methyl-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile

C17H22N4 — CID 82311237

IUPAC2-[5-methyl-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile
SMILESCCC(c1nc2cc(C)ccc2n1CC#N)N1CCCC1
InChIInChI=1S/C17H22N4/c1-3-15(20-9-4-5-10-20)17-19-14-12-13(2)6-7-16(14)21(17)11-8-18/h6-7,12,15H,3-5,9-11H2,1-2H3
InChIKeyPOPXSEQZFGPHCZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.42
Rot. Bonds4

About 2-[5-methyl-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile

2-[5-methyl-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile (PubChem CID 82311237) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[5-methyl-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-methyl-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile
PubChem CID82311237
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-[5-methyl-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile
SMILESCCC(c1nc2cc(C)ccc2n1CC#N)N1CCCC1
InChIInChI=1S/C17H22N4/c1-3-15(20-9-4-5-10-20)17-19-14-12-13(2)6-7-16(14)21(17)11-8-18/h6-7,12,15H,3-5,9-11H2,1-2H3
InChIKeyPOPXSEQZFGPHCZ-UHFFFAOYSA-N
XLogP3.42
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-piperidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile
CID 82311252
2-[5-methyl-2-(1-piperazin-1-ylethyl)benzimidazol-1-yl]acetonitrile
CID 82311223
2-[2-(1-morpholin-4-ylpropyl)benzimidazol-1-yl]acetonitrile
CID 82311249
2-[5-fluoro-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]ethanol
CID 82311726
2-[2-[(dipropylamino)methyl]-5-methylbenzimidazol-1-yl]acetonitrile
CID 82311169
2-[5-methyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetic acid
CID 82310922
2-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]acetonitrile
CID 82311236
2-[2-[1-(dimethylamino)propyl]-5-ethylbenzimidazol-1-yl]acetonitrile
CID 82311241
3-[5-ethyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile
CID 82311556
2-[2-[1-(dimethylamino)propyl]-5-methoxybenzimidazol-1-yl]acetonitrile
CID 82311242
2-[2-[[butyl(ethyl)amino]methyl]-5-methylbenzimidazol-1-yl]acetonitrile
CID 82311171
2-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetonitrile
CID 39158205

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile?
The IUPAC name of 2-[5-methyl-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile (CID 82311237) is 2-[5-methyl-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[5-methyl-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile?
The canonical SMILES for 2-[5-methyl-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile is CCC(c1nc2cc(C)ccc2n1CC#N)N1CCCC1.
What is the InChIKey of 2-[5-methyl-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile?
The InChIKey is POPXSEQZFGPHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-3-15(20-9-4-5-10-20)17-19-14-12-13(2)6-7-16(14)21(17)11-8-18/h6-7,12,15H,3-5,9-11H2,1-2H3.
What are the key properties of 2-[5-methyl-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile?
2-[5-methyl-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile has a molecular weight of 282.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile is sourced from PubChem (CID 82311237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).