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

C10H12ClN3 — CID 68917390

IUPAC3-[[2-(chloromethyl)-4,5-dihydroimidazol-1-yl]methyl]pyridine
SMILESClCC1=NCCN1Cc1cccnc1
InChIInChI=1S/C10H12ClN3/c11-6-10-13-4-5-14(10)8-9-2-1-3-12-7-9/h1-3,7H,4-6,8H2
InChIKeyJLJFSVQORGMXQZ-UHFFFAOYSA-N
MW209.68 g/mol
LogP1.53
Rot. Bonds3

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

3-[[2-(chloromethyl)-4,5-dihydroimidazol-1-yl]methyl]pyridine (PubChem CID 68917390) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 3-[[2-(chloromethyl)-4,5-dihydroimidazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[2-(chloromethyl)-4,5-dihydroimidazol-1-yl]methyl]pyridine
PubChem CID68917390
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name3-[[2-(chloromethyl)-4,5-dihydroimidazol-1-yl]methyl]pyridine
SMILESClCC1=NCCN1Cc1cccnc1
InChIInChI=1S/C10H12ClN3/c11-6-10-13-4-5-14(10)8-9-2-1-3-12-7-9/h1-3,7H,4-6,8H2
InChIKeyJLJFSVQORGMXQZ-UHFFFAOYSA-N
XLogP1.53
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
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N-[(1-butyl-4,5-dihydroimidazol-2-yl)methyl]-N-(pyridin-3-ylmethyl)aniline
CID 57041238
3-[[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine
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3-(chloromethyl)-4-(pyridin-3-ylmethyl)thiomorpholine
CID 131052532
16-(pyridin-3-ylmethyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 11523230
6-chloro-1-methyl-4-(pyridin-3-ylmethyl)-2,3-dihydroquinoxaline
CID 75451837
4-hydroxy-1-(pyridin-3-ylmethyl)piperidin-2-one
CID 117013986
1-(3-chloro-4-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine
CID 133351662
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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(chloromethyl)-4,5-dihydroimidazol-1-yl]methyl]pyridine?
The IUPAC name of 3-[[2-(chloromethyl)-4,5-dihydroimidazol-1-yl]methyl]pyridine (CID 68917390) is 3-[[2-(chloromethyl)-4,5-dihydroimidazol-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[2-(chloromethyl)-4,5-dihydroimidazol-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[2-(chloromethyl)-4,5-dihydroimidazol-1-yl]methyl]pyridine is ClCC1=NCCN1Cc1cccnc1.
What is the InChIKey of 3-[[2-(chloromethyl)-4,5-dihydroimidazol-1-yl]methyl]pyridine?
The InChIKey is JLJFSVQORGMXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c11-6-10-13-4-5-14(10)8-9-2-1-3-12-7-9/h1-3,7H,4-6,8H2.
What are the key properties of 3-[[2-(chloromethyl)-4,5-dihydroimidazol-1-yl]methyl]pyridine?
3-[[2-(chloromethyl)-4,5-dihydroimidazol-1-yl]methyl]pyridine has a molecular weight of 209.68 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(chloromethyl)-4,5-dihydroimidazol-1-yl]methyl]pyridine is sourced from PubChem (CID 68917390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).