3-(chloromethyl)-2-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

C11H15ClN2 — CID 125453034

IUPAC3-(chloromethyl)-2-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESClCc1c(C2CC2)nc2n1CCCC2
InChIInChI=1S/C11H15ClN2/c12-7-9-11(8-4-5-8)13-10-3-1-2-6-14(9)10/h8H,1-7H2
InChIKeyLNATYKTZQPTNTP-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.84
Rot. Bonds2

About 3-(chloromethyl)-2-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

3-(chloromethyl)-2-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 125453034) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 3-(chloromethyl)-2-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
PubChem CID125453034
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name3-(chloromethyl)-2-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESClCc1c(C2CC2)nc2n1CCCC2
InChIInChI=1S/C11H15ClN2/c12-7-9-11(8-4-5-8)13-10-3-1-2-6-14(9)10/h8H,1-7H2
InChIKeyLNATYKTZQPTNTP-UHFFFAOYSA-N
XLogP2.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 66489687
6,7-dimethyl-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazole
CID 83218210
2-bromo-3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 84699046
3-bromo-2-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 84699047
2,3-dibromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 10356283
N-[(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methyl]-N-methylhydroxylamine
CID 84780839
(3-chloro-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)methanol
CID 84660796
2-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 83637215
2-(2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-N-methylethanamine
CID 83833963
6,7,8,9-tetrachloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
CID 165351379
3-pyrrolidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 81057789
3-bromo-2-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 83681530

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of 3-(chloromethyl)-2-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (CID 125453034) is 3-(chloromethyl)-2-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 3-(chloromethyl)-2-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is ClCc1c(C2CC2)nc2n1CCCC2.
What is the InChIKey of 3-(chloromethyl)-2-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is LNATYKTZQPTNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c12-7-9-11(8-4-5-8)13-10-3-1-2-6-14(9)10/h8H,1-7H2.
What are the key properties of 3-(chloromethyl)-2-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
3-(chloromethyl)-2-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 210.71 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 125453034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).