2-(1-methylbenzimidazol-5-yl)ethanamine

C10H13N3 — CID 82255151

IUPAC2-(1-methylbenzimidazol-5-yl)ethanamine
SMILESCn1cnc2cc(CCN)ccc21
InChIInChI=1S/C10H13N3/c1-13-7-12-9-6-8(4-5-11)2-3-10(9)13/h2-3,6-7H,4-5,11H2,1H3
InChIKeyBTSBAXKSPLGCNU-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.07
Rot. Bonds2

About 2-(1-methylbenzimidazol-5-yl)ethanamine

2-(1-methylbenzimidazol-5-yl)ethanamine (PubChem CID 82255151) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-5-yl)ethanamine
PubChem CID82255151
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name2-(1-methylbenzimidazol-5-yl)ethanamine
SMILESCn1cnc2cc(CCN)ccc21
InChIInChI=1S/C10H13N3/c1-13-7-12-9-6-8(4-5-11)2-3-10(9)13/h2-3,6-7H,4-5,11H2,1H3
InChIKeyBTSBAXKSPLGCNU-UHFFFAOYSA-N
XLogP1.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-5-yl)ethanamine?
The IUPAC name of 2-(1-methylbenzimidazol-5-yl)ethanamine (CID 82255151) is 2-(1-methylbenzimidazol-5-yl)ethanamine.
What is the SMILES notation for 2-(1-methylbenzimidazol-5-yl)ethanamine?
The canonical SMILES for 2-(1-methylbenzimidazol-5-yl)ethanamine is Cn1cnc2cc(CCN)ccc21.
What is the InChIKey of 2-(1-methylbenzimidazol-5-yl)ethanamine?
The InChIKey is BTSBAXKSPLGCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-13-7-12-9-6-8(4-5-11)2-3-10(9)13/h2-3,6-7H,4-5,11H2,1H3.
What are the key properties of 2-(1-methylbenzimidazol-5-yl)ethanamine?
2-(1-methylbenzimidazol-5-yl)ethanamine has a molecular weight of 175.23 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-5-yl)ethanamine is sourced from PubChem (CID 82255151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).