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

C17H26N4 — CID 82333541

IUPAC1-[5-ethyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine
SMILESCCc1ccc2c(c1)nc(C(C)N)n2CCN1CCCC1
InChIInChI=1S/C17H26N4/c1-3-14-6-7-16-15(12-14)19-17(13(2)18)21(16)11-10-20-8-4-5-9-20/h6-7,12-13H,3-5,8-11,18H2,1-2H3
InChIKeyXZGPVKVHQNZEQV-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.71
Rot. Bonds5

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

1-[5-ethyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine (PubChem CID 82333541) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[5-ethyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-ethyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine
PubChem CID82333541
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name1-[5-ethyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine
SMILESCCc1ccc2c(c1)nc(C(C)N)n2CCN1CCCC1
InChIInChI=1S/C17H26N4/c1-3-14-6-7-16-15(12-14)19-17(13(2)18)21(16)11-10-20-8-4-5-9-20/h6-7,12-13H,3-5,8-11,18H2,1-2H3
InChIKeyXZGPVKVHQNZEQV-UHFFFAOYSA-N
XLogP2.71
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-ethyl-1-propylbenzimidazol-2-yl)propan-1-amine
CID 82333614
3-[5-ethyl-2-(1-pyrrolidin-1-ylethyl)benzimidazol-1-yl]propanenitrile
CID 82311556
2-ethyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine
CID 62507566
1-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 82333524
2-[2-(1-chloroethyl)-5-ethylbenzimidazol-1-yl]-N,N-dimethylethanamine
CID 82333823
2-propan-2-yl-1-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-amine
CID 62993400
1-(1-butyl-5-fluorobenzimidazol-2-yl)ethanamine
CID 82332092
1-(5-propan-2-yloxy-1-propylbenzimidazol-2-yl)ethanamine
CID 82335259
1-(5-propoxy-1-propylbenzimidazol-2-yl)ethanamine
CID 82335031
[2-(1-cyclopropylethyl)-1-propylbenzimidazol-5-yl]methanamine
CID 83149878
2-cyclopropyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine
CID 62507722
1-[1-[2-(dimethylamino)ethyl]-5-propan-2-ylbenzimidazol-2-yl]ethanamine
CID 82333992

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine?
The IUPAC name of 1-[5-ethyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine (CID 82333541) is 1-[5-ethyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-ethyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-ethyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine is CCc1ccc2c(c1)nc(C(C)N)n2CCN1CCCC1.
What is the InChIKey of 1-[5-ethyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine?
The InChIKey is XZGPVKVHQNZEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-3-14-6-7-16-15(12-14)19-17(13(2)18)21(16)11-10-20-8-4-5-9-20/h6-7,12-13H,3-5,8-11,18H2,1-2H3.
What are the key properties of 1-[5-ethyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine?
1-[5-ethyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine has a molecular weight of 286.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 82333541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).