6-bromo-1-[(1-ethylpyrrolidin-3-yl)methyl]benzimidazol-2-amine

C14H19BrN4 — CID 65346977

IUPAC6-bromo-1-[(1-ethylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
SMILESCCN1CCC(Cn2c(N)nc3ccc(Br)cc32)C1
InChIInChI=1S/C14H19BrN4/c1-2-18-6-5-10(8-18)9-19-13-7-11(15)3-4-12(13)17-14(19)16/h3-4,7,10H,2,5-6,8-9H2,1H3,(H2,16,17)
InChIKeyWJJGFIULYRECBQ-UHFFFAOYSA-N
MW323.24 g/mol
LogP2.72
Rot. Bonds3

About 6-bromo-1-[(1-ethylpyrrolidin-3-yl)methyl]benzimidazol-2-amine

6-bromo-1-[(1-ethylpyrrolidin-3-yl)methyl]benzimidazol-2-amine (PubChem CID 65346977) has the molecular formula C14H19BrN4 and a molecular weight of 323.24 g/mol. Its IUPAC name is 6-bromo-1-[(1-ethylpyrrolidin-3-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-[(1-ethylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
PubChem CID65346977
Molecular FormulaC14H19BrN4
Molecular Weight323.24 g/mol
Exact Mass322.08
IUPAC Name6-bromo-1-[(1-ethylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
SMILESCCN1CCC(Cn2c(N)nc3ccc(Br)cc32)C1
InChIInChI=1S/C14H19BrN4/c1-2-18-6-5-10(8-18)9-19-13-7-11(15)3-4-12(13)17-14(19)16/h3-4,7,10H,2,5-6,8-9H2,1H3,(H2,16,17)
InChIKeyWJJGFIULYRECBQ-UHFFFAOYSA-N
XLogP2.72
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[(1-ethylpyrrolidin-3-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 6-bromo-1-[(1-ethylpyrrolidin-3-yl)methyl]benzimidazol-2-amine (CID 65346977) is 6-bromo-1-[(1-ethylpyrrolidin-3-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-[(1-ethylpyrrolidin-3-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-[(1-ethylpyrrolidin-3-yl)methyl]benzimidazol-2-amine is CCN1CCC(Cn2c(N)nc3ccc(Br)cc32)C1.
What is the InChIKey of 6-bromo-1-[(1-ethylpyrrolidin-3-yl)methyl]benzimidazol-2-amine?
The InChIKey is WJJGFIULYRECBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4/c1-2-18-6-5-10(8-18)9-19-13-7-11(15)3-4-12(13)17-14(19)16/h3-4,7,10H,2,5-6,8-9H2,1H3,(H2,16,17).
What are the key properties of 6-bromo-1-[(1-ethylpyrrolidin-3-yl)methyl]benzimidazol-2-amine?
6-bromo-1-[(1-ethylpyrrolidin-3-yl)methyl]benzimidazol-2-amine has a molecular weight of 323.24 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(1-ethylpyrrolidin-3-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 65346977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).