2-(chloromethyl)-1-(4-methylpentan-2-yl)imidazo[4,5-c]pyridine

C13H18ClN3 — CID 79292578

IUPAC2-(chloromethyl)-1-(4-methylpentan-2-yl)imidazo[4,5-c]pyridine
SMILESCC(C)CC(C)n1c(CCl)nc2cnccc21
InChIInChI=1S/C13H18ClN3/c1-9(2)6-10(3)17-12-4-5-15-8-11(12)16-13(17)7-14/h4-5,8-10H,6-7H2,1-3H3
InChIKeyRELGBTDRMHTTSJ-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.78
Rot. Bonds4

About 2-(chloromethyl)-1-(4-methylpentan-2-yl)imidazo[4,5-c]pyridine

2-(chloromethyl)-1-(4-methylpentan-2-yl)imidazo[4,5-c]pyridine (PubChem CID 79292578) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(4-methylpentan-2-yl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-1-(4-methylpentan-2-yl)imidazo[4,5-c]pyridine
PubChem CID79292578
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name2-(chloromethyl)-1-(4-methylpentan-2-yl)imidazo[4,5-c]pyridine
SMILESCC(C)CC(C)n1c(CCl)nc2cnccc21
InChIInChI=1S/C13H18ClN3/c1-9(2)6-10(3)17-12-4-5-15-8-11(12)16-13(17)7-14/h4-5,8-10H,6-7H2,1-3H3
InChIKeyRELGBTDRMHTTSJ-UHFFFAOYSA-N
XLogP3.78
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.78
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

2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]imidazo[4,5-c]pyridine
CID 79292030
2-(chloromethyl)-1-(1-pyridin-3-ylethyl)imidazo[4,5-c]pyridine
CID 79292162
3-butan-2-yl-2-(chloromethyl)imidazo[4,5-c]pyridine
CID 130597335
2-[1-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-4-methyl-1,3-thiazole
CID 79292830
2-(2-chloroethyl)-1-(1-phenylpropan-2-yl)imidazo[4,5-c]pyridine
CID 79273060
2-(chloromethyl)-1-(1-cyclohexylpropyl)imidazo[4,5-c]pyridine
CID 79292816
2-(2-chloroethyl)-1-octan-2-ylimidazo[4,5-c]pyridine
CID 79292173
2-(chloromethyl)-1-[2-(3-methylbutoxy)ethyl]imidazo[4,5-c]pyridine
CID 79292464
6-bromo-2-(chloromethyl)-5-fluoro-1-(4-methylpentan-2-yl)benzimidazole
CID 116738768
2-(chloromethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine
CID 79362124
2-[1-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-1,3-thiazole
CID 79292688
6-chloro-2-(2-chloroethyl)-1-(4-methylpentan-2-yl)benzimidazole
CID 113316284

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(4-methylpentan-2-yl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(chloromethyl)-1-(4-methylpentan-2-yl)imidazo[4,5-c]pyridine (CID 79292578) is 2-(chloromethyl)-1-(4-methylpentan-2-yl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(chloromethyl)-1-(4-methylpentan-2-yl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(chloromethyl)-1-(4-methylpentan-2-yl)imidazo[4,5-c]pyridine is CC(C)CC(C)n1c(CCl)nc2cnccc21.
What is the InChIKey of 2-(chloromethyl)-1-(4-methylpentan-2-yl)imidazo[4,5-c]pyridine?
The InChIKey is RELGBTDRMHTTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c1-9(2)6-10(3)17-12-4-5-15-8-11(12)16-13(17)7-14/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 2-(chloromethyl)-1-(4-methylpentan-2-yl)imidazo[4,5-c]pyridine?
2-(chloromethyl)-1-(4-methylpentan-2-yl)imidazo[4,5-c]pyridine has a molecular weight of 251.76 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(4-methylpentan-2-yl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 79292578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).