1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine;dihydrobromide

C13H20Br2N4 — CID 44888796

IUPAC1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine;dihydrobromide
SMILESBr.Br.Nc1nc2ccccc2n1CCN1CCCC1
InChIInChI=1S/C13H18N4.2BrH/c14-13-15-11-5-1-2-6-12(11)17(13)10-9-16-7-3-4-8-16;;/h1-2,5-6H,3-4,7-10H2,(H2,14,15);2*1H
InChIKeyQHQWGEWJFWKMAB-UHFFFAOYSA-N
MW392.14 g/mol
LogP2.87
Rot. Bonds3

About 1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine;dihydrobromide

1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine;dihydrobromide (PubChem CID 44888796) has the molecular formula C13H20Br2N4 and a molecular weight of 392.14 g/mol. Its IUPAC name is 1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine;dihydrobromide.

Molecular Properties

Compound Name1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine;dihydrobromide
PubChem CID44888796
Molecular FormulaC13H20Br2N4
Molecular Weight392.14 g/mol
Exact Mass390.01
IUPAC Name1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine;dihydrobromide
SMILESBr.Br.Nc1nc2ccccc2n1CCN1CCCC1
InChIInChI=1S/C13H18N4.2BrH/c14-13-15-11-5-1-2-6-12(11)17(13)10-9-16-7-3-4-8-16;;/h1-2,5-6H,3-4,7-10H2,(H2,14,15);2*1H
InChIKeyQHQWGEWJFWKMAB-UHFFFAOYSA-N
XLogP2.87
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.14
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine;dihydrobromide?
The IUPAC name of 1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine;dihydrobromide (CID 44888796) is 1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine;dihydrobromide.
What is the SMILES notation for 1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine;dihydrobromide?
The canonical SMILES for 1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine;dihydrobromide is Br.Br.Nc1nc2ccccc2n1CCN1CCCC1.
What is the InChIKey of 1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine;dihydrobromide?
The InChIKey is QHQWGEWJFWKMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4.2BrH/c14-13-15-11-5-1-2-6-12(11)17(13)10-9-16-7-3-4-8-16;;/h1-2,5-6H,3-4,7-10H2,(H2,14,15);2*1H.
What are the key properties of 1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine;dihydrobromide?
1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine;dihydrobromide has a molecular weight of 392.14 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine;dihydrobromide is sourced from PubChem (CID 44888796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).