3-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]pyridine

C11H15N3 — CID 11052425

IUPAC3-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]pyridine
SMILESCCN1CCN=C1Cc1cccnc1
InChIInChI=1S/C11H15N3/c1-2-14-7-6-13-11(14)8-10-4-3-5-12-9-10/h3-5,9H,2,6-8H2,1H3
InChIKeyQJMVVNQNTCMXJJ-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.36
Rot. Bonds3

About 3-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]pyridine

3-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]pyridine (PubChem CID 11052425) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]pyridine.

Molecular Properties

Compound Name3-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]pyridine
PubChem CID11052425
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name3-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]pyridine
SMILESCCN1CCN=C1Cc1cccnc1
InChIInChI=1S/C11H15N3/c1-2-14-7-6-13-11(14)8-10-4-3-5-12-9-10/h3-5,9H,2,6-8H2,1H3
InChIKeyQJMVVNQNTCMXJJ-UHFFFAOYSA-N
XLogP1.36
TPSA28.49 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 ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]pyridine?
The IUPAC name of 3-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]pyridine (CID 11052425) is 3-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]pyridine.
What is the SMILES notation for 3-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]pyridine?
The canonical SMILES for 3-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]pyridine is CCN1CCN=C1Cc1cccnc1.
What is the InChIKey of 3-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]pyridine?
The InChIKey is QJMVVNQNTCMXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-14-7-6-13-11(14)8-10-4-3-5-12-9-10/h3-5,9H,2,6-8H2,1H3.
What are the key properties of 3-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]pyridine?
3-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]pyridine has a molecular weight of 189.26 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]pyridine is sourced from PubChem (CID 11052425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).