2-(7-chlorobenzimidazol-1-yl)ethanamine

C9H10ClN3 — CID 90908899

IUPAC2-(7-chlorobenzimidazol-1-yl)ethanamine
SMILESNCCn1cnc2cccc(Cl)c21
InChIInChI=1S/C9H10ClN3/c10-7-2-1-3-8-9(7)13(5-4-11)6-12-8/h1-3,6H,4-5,11H2
InChIKeyFZXVJNSHBLZYSJ-UHFFFAOYSA-N
MW195.65 g/mol
LogP1.65
Rot. Bonds2

About 2-(7-chlorobenzimidazol-1-yl)ethanamine

2-(7-chlorobenzimidazol-1-yl)ethanamine (PubChem CID 90908899) has the molecular formula C9H10ClN3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 2-(7-chlorobenzimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(7-chlorobenzimidazol-1-yl)ethanamine
PubChem CID90908899
Molecular FormulaC9H10ClN3
Molecular Weight195.65 g/mol
Exact Mass195.06
IUPAC Name2-(7-chlorobenzimidazol-1-yl)ethanamine
SMILESNCCn1cnc2cccc(Cl)c21
InChIInChI=1S/C9H10ClN3/c10-7-2-1-3-8-9(7)13(5-4-11)6-12-8/h1-3,6H,4-5,11H2
InChIKeyFZXVJNSHBLZYSJ-UHFFFAOYSA-N
XLogP1.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chlorobenzimidazol-1-yl)ethanamine?
The IUPAC name of 2-(7-chlorobenzimidazol-1-yl)ethanamine (CID 90908899) is 2-(7-chlorobenzimidazol-1-yl)ethanamine.
What is the SMILES notation for 2-(7-chlorobenzimidazol-1-yl)ethanamine?
The canonical SMILES for 2-(7-chlorobenzimidazol-1-yl)ethanamine is NCCn1cnc2cccc(Cl)c21.
What is the InChIKey of 2-(7-chlorobenzimidazol-1-yl)ethanamine?
The InChIKey is FZXVJNSHBLZYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3/c10-7-2-1-3-8-9(7)13(5-4-11)6-12-8/h1-3,6H,4-5,11H2.
What are the key properties of 2-(7-chlorobenzimidazol-1-yl)ethanamine?
2-(7-chlorobenzimidazol-1-yl)ethanamine has a molecular weight of 195.65 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chlorobenzimidazol-1-yl)ethanamine is sourced from PubChem (CID 90908899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).