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

C10H13N3 — CID 10035109

IUPAC3-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]pyridine
SMILESCN1CCN=C1Cc1cccnc1
InChIInChI=1S/C10H13N3/c1-13-6-5-12-10(13)7-9-3-2-4-11-8-9/h2-4,8H,5-7H2,1H3
InChIKeyYXPIBYSOCFGTHG-UHFFFAOYSA-N
MW175.24 g/mol
LogP0.97
Rot. Bonds2

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

3-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]pyridine (PubChem CID 10035109) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 3-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]pyridine.

Molecular Properties

Compound Name3-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]pyridine
PubChem CID10035109
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name3-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]pyridine
SMILESCN1CCN=C1Cc1cccnc1
InChIInChI=1S/C10H13N3/c1-13-6-5-12-10(13)7-9-3-2-4-11-8-9/h2-4,8H,5-7H2,1H3
InChIKeyYXPIBYSOCFGTHG-UHFFFAOYSA-N
XLogP0.97
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Nicotine
CID 89594
3-Methylpyridine
CID 7970
Tripelennamine
CID 5587
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
4-Methylpyridine
CID 7963
4-Vinylpyridine
CID 7502
Paraquat
CID 15939
Tripelennamine Hydrochloride
CID 9066
Myosmine
CID 442649
5-Ethyl-2-methylpyridine
CID 7728
Anabaseine
CID 18985
Rivanicline
CID 5310967

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]pyridine?
The IUPAC name of 3-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]pyridine (CID 10035109) is 3-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]pyridine.
What is the SMILES notation for 3-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]pyridine?
The canonical SMILES for 3-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]pyridine is CN1CCN=C1Cc1cccnc1.
What is the InChIKey of 3-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]pyridine?
The InChIKey is YXPIBYSOCFGTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-13-6-5-12-10(13)7-9-3-2-4-11-8-9/h2-4,8H,5-7H2,1H3.
What are the key properties of 3-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]pyridine?
3-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]pyridine has a molecular weight of 175.24 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-4,5-dihydroimidazol-2-yl)methyl]pyridine is sourced from PubChem (CID 10035109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).