2-[2-(chloromethyl)-3-methylbut-1-enyl]imidazo[1,2-a]pyridine

C13H15ClN2 — CID 79335392

IUPAC2-[2-(chloromethyl)-3-methylbut-1-enyl]imidazo[1,2-a]pyridine
SMILESCC(C)C(=Cc1cn2ccccc2n1)CCl
InChIInChI=1S/C13H15ClN2/c1-10(2)11(8-14)7-12-9-16-6-4-3-5-13(16)15-12/h3-7,9-10H,8H2,1-2H3
InChIKeyYUXUXCMMEXTWFQ-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.61
Rot. Bonds3

About 2-[2-(chloromethyl)-3-methylbut-1-enyl]imidazo[1,2-a]pyridine

2-[2-(chloromethyl)-3-methylbut-1-enyl]imidazo[1,2-a]pyridine (PubChem CID 79335392) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 2-[2-(chloromethyl)-3-methylbut-1-enyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[2-(chloromethyl)-3-methylbut-1-enyl]imidazo[1,2-a]pyridine
PubChem CID79335392
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name2-[2-(chloromethyl)-3-methylbut-1-enyl]imidazo[1,2-a]pyridine
SMILESCC(C)C(=Cc1cn2ccccc2n1)CCl
InChIInChI=1S/C13H15ClN2/c1-10(2)11(8-14)7-12-9-16-6-4-3-5-13(16)15-12/h3-7,9-10H,8H2,1-2H3
InChIKeyYUXUXCMMEXTWFQ-UHFFFAOYSA-N
XLogP3.61
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.61
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

(E)-4-imidazo[1,2-a]pyridin-2-yl-3-methyl-N-propylbut-3-en-2-amine
CID 103093587
2-[(E)-prop-1-enyl]imidazo[1,2-a]pyridine
CID 129127602
4-imidazo[1,2-a]pyridin-2-yl-3-methylbutan-2-ol
CID 79422982
ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513
2-[(E)-3-ethoxyprop-1-enyl]imidazo[1,2-a]pyridine
CID 76849458
(Z)-N,N-diethyl-3-imidazo[1,2-a]pyridin-2-ylprop-2-en-1-amine
CID 99933175
1-imidazo[1,2-a]pyridin-2-ylethanone
CID 11194486
(1S)-1-imidazo[1,2-a]pyridin-2-ylethanamine;dihydrochloride
CID 155970924
2-[chloro(dideuterio)methyl]imidazo[1,2-a]pyridine;hydrochloride
CID 164900290
3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-N-propan-2-ylpropanamide
CID 112688880
1-imidazo[1,2-a]pyridin-2-yl-2-methylpentan-1-ol
CID 107892679
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpentan-3-amine
CID 61469725

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)-3-methylbut-1-enyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[2-(chloromethyl)-3-methylbut-1-enyl]imidazo[1,2-a]pyridine (CID 79335392) is 2-[2-(chloromethyl)-3-methylbut-1-enyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[2-(chloromethyl)-3-methylbut-1-enyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[2-(chloromethyl)-3-methylbut-1-enyl]imidazo[1,2-a]pyridine is CC(C)C(=Cc1cn2ccccc2n1)CCl.
What is the InChIKey of 2-[2-(chloromethyl)-3-methylbut-1-enyl]imidazo[1,2-a]pyridine?
The InChIKey is YUXUXCMMEXTWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-10(2)11(8-14)7-12-9-16-6-4-3-5-13(16)15-12/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 2-[2-(chloromethyl)-3-methylbut-1-enyl]imidazo[1,2-a]pyridine?
2-[2-(chloromethyl)-3-methylbut-1-enyl]imidazo[1,2-a]pyridine has a molecular weight of 234.73 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)-3-methylbut-1-enyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 79335392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).