5,6-dimethoxy-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine

C15H22N4O2 — CID 83003441

IUPAC5,6-dimethoxy-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine
SMILESCOc1cc2nc(N)n(CCN3CCCC3)c2cc1OC
InChIInChI=1S/C15H22N4O2/c1-20-13-9-11-12(10-14(13)21-2)19(15(16)17-11)8-7-18-5-3-4-6-18/h9-10H,3-8H2,1-2H3,(H2,16,17)
InChIKeyZUNDKFFJTTZKJB-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.73
Rot. Bonds5

About 5,6-dimethoxy-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine

5,6-dimethoxy-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine (PubChem CID 83003441) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5,6-dimethoxy-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5,6-dimethoxy-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine
PubChem CID83003441
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name5,6-dimethoxy-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine
SMILESCOc1cc2nc(N)n(CCN3CCCC3)c2cc1OC
InChIInChI=1S/C15H22N4O2/c1-20-13-9-11-12(10-14(13)21-2)19(15(16)17-11)8-7-18-5-3-4-6-18/h9-10H,3-8H2,1-2H3,(H2,16,17)
InChIKeyZUNDKFFJTTZKJB-UHFFFAOYSA-N
XLogP1.73
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine?
The IUPAC name of 5,6-dimethoxy-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine (CID 83003441) is 5,6-dimethoxy-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine.
What is the SMILES notation for 5,6-dimethoxy-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine?
The canonical SMILES for 5,6-dimethoxy-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine is COc1cc2nc(N)n(CCN3CCCC3)c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine?
The InChIKey is ZUNDKFFJTTZKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-20-13-9-11-12(10-14(13)21-2)19(15(16)17-11)8-7-18-5-3-4-6-18/h9-10H,3-8H2,1-2H3,(H2,16,17).
What are the key properties of 5,6-dimethoxy-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine?
5,6-dimethoxy-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine has a molecular weight of 290.37 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine is sourced from PubChem (CID 83003441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).