3-[5-ethyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile

C18H24N4 — CID 82311556

IUPAC3-[5-ethyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile
SMILESCCc1ccc2c(c1)nc(C(C)N1CCCC1)n2CCC#N
InChIInChI=1S/C18H24N4/c1-3-15-7-8-17-16(13-15)20-18(22(17)12-6-9-19)14(2)21-10-4-5-11-21/h7-8,13-14H,3-6,10-12H2,1-2H3
InChIKeyHNECRHRIHAZSCX-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.67
Rot. Bonds5

About 3-[5-ethyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile

3-[5-ethyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile (PubChem CID 82311556) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 3-[5-ethyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[5-ethyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile
PubChem CID82311556
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name3-[5-ethyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile
SMILESCCc1ccc2c(c1)nc(C(C)N1CCCC1)n2CCC#N
InChIInChI=1S/C18H24N4/c1-3-15-7-8-17-16(13-15)20-18(22(17)12-6-9-19)14(2)21-10-4-5-11-21/h7-8,13-14H,3-6,10-12H2,1-2H3
InChIKeyHNECRHRIHAZSCX-UHFFFAOYSA-N
XLogP3.67
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile
CID 82311578
1-[5-ethyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine
CID 82333541
1-[4-(4-ethylphenoxy)butyl]-2-(1-pyrrolidin-1-ylethyl)benzimidazole
CID 18885099
2-[1-(azepan-1-yl)ethyl]-1-[3-(4-ethylphenoxy)propyl]benzimidazole
CID 18885329
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
2-[2-[1-(dimethylamino)propyl]-5-ethylbenzimidazol-1-yl]acetonitrile
CID 82311241
2-[5-methyl-2-(1-piperazin-1-ylethyl)benzimidazol-1-yl]acetonitrile
CID 82311223
1-(5-ethyl-1-propylbenzimidazol-2-yl)propan-1-amine
CID 82333614
2-[2-(1-chloroethyl)-5-ethylbenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82333823
2-[5-methyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]acetic acid
CID 82310922

Frequently Asked Questions

What is the IUPAC name of 3-[5-ethyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile?
The IUPAC name of 3-[5-ethyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile (CID 82311556) is 3-[5-ethyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile.
What is the SMILES notation for 3-[5-ethyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile?
The canonical SMILES for 3-[5-ethyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile is CCc1ccc2c(c1)nc(C(C)N1CCCC1)n2CCC#N.
What is the InChIKey of 3-[5-ethyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile?
The InChIKey is HNECRHRIHAZSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-3-15-7-8-17-16(13-15)20-18(22(17)12-6-9-19)14(2)21-10-4-5-11-21/h7-8,13-14H,3-6,10-12H2,1-2H3.
What are the key properties of 3-[5-ethyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile?
3-[5-ethyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile has a molecular weight of 296.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-ethyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile is sourced from PubChem (CID 82311556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).