6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole

C13H16ClN3 — CID 113316602

IUPAC6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole
SMILESCCn1c(C2CCNC2)nc2ccc(Cl)cc21
InChIInChI=1S/C13H16ClN3/c1-2-17-12-7-10(14)3-4-11(12)16-13(17)9-5-6-15-8-9/h3-4,7,9,15H,2,5-6,8H2,1H3
InChIKeyUEFLIFFNHPEEJQ-UHFFFAOYSA-N
MW249.74 g/mol
LogP2.79
Rot. Bonds2

About 6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole

6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole (PubChem CID 113316602) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole.

Molecular Properties

Compound Name6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole
PubChem CID113316602
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole
SMILESCCn1c(C2CCNC2)nc2ccc(Cl)cc21
InChIInChI=1S/C13H16ClN3/c1-2-17-12-7-10(14)3-4-11(12)16-13(17)9-5-6-15-8-9/h3-4,7,9,15H,2,5-6,8H2,1H3
InChIKeyUEFLIFFNHPEEJQ-UHFFFAOYSA-N
XLogP2.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole?
The IUPAC name of 6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole (CID 113316602) is 6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole.
What is the SMILES notation for 6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole?
The canonical SMILES for 6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole is CCn1c(C2CCNC2)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole?
The InChIKey is UEFLIFFNHPEEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-2-17-12-7-10(14)3-4-11(12)16-13(17)9-5-6-15-8-9/h3-4,7,9,15H,2,5-6,8H2,1H3.
What are the key properties of 6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole?
6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole has a molecular weight of 249.74 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole is sourced from PubChem (CID 113316602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).