2-(benzimidazol-1-yl)-N,N-dimethylethanamine

C11H15N3 — CID 805647

IUPAC2-(benzimidazol-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCn1cnc2ccccc21
InChIInChI=1S/C11H15N3/c1-13(2)7-8-14-9-12-10-5-3-4-6-11(10)14/h3-6,9H,7-8H2,1-2H3
InChIKeyVROKMVIWNLXCFR-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.60
Rot. Bonds3

About 2-(benzimidazol-1-yl)-N,N-dimethylethanamine

2-(benzimidazol-1-yl)-N,N-dimethylethanamine (PubChem CID 805647) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N,N-dimethylethanamine
PubChem CID805647
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-(benzimidazol-1-yl)-N,N-dimethylethanamine
SMILESCN(C)CCn1cnc2ccccc21
InChIInChI=1S/C11H15N3/c1-13(2)7-8-14-9-12-10-5-3-4-6-11(10)14/h3-6,9H,7-8H2,1-2H3
InChIKeyVROKMVIWNLXCFR-UHFFFAOYSA-N
XLogP1.60
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(benzimidazol-1-yl)-N,N-dimethylethanamine (CID 805647) is 2-(benzimidazol-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(benzimidazol-1-yl)-N,N-dimethylethanamine is CN(C)CCn1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-N,N-dimethylethanamine?
The InChIKey is VROKMVIWNLXCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-13(2)7-8-14-9-12-10-5-3-4-6-11(10)14/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 2-(benzimidazol-1-yl)-N,N-dimethylethanamine?
2-(benzimidazol-1-yl)-N,N-dimethylethanamine has a molecular weight of 189.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 805647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).