2-(chloromethyl)-3-hexyl-5-methylimidazo[4,5-b]pyridine

C14H20ClN3 — CID 81135625

IUPAC2-(chloromethyl)-3-hexyl-5-methylimidazo[4,5-b]pyridine
SMILESCCCCCCn1c(CCl)nc2ccc(C)nc21
InChIInChI=1S/C14H20ClN3/c1-3-4-5-6-9-18-13(10-15)17-12-8-7-11(2)16-14(12)18/h7-8H,3-6,9-10H2,1-2H3
InChIKeyLZLKOMVUUKLNHG-UHFFFAOYSA-N
MW265.79 g/mol
LogP4.06
Rot. Bonds6

About 2-(chloromethyl)-3-hexyl-5-methylimidazo[4,5-b]pyridine

2-(chloromethyl)-3-hexyl-5-methylimidazo[4,5-b]pyridine (PubChem CID 81135625) has the molecular formula C14H20ClN3 and a molecular weight of 265.79 g/mol. Its IUPAC name is 2-(chloromethyl)-3-hexyl-5-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-hexyl-5-methylimidazo[4,5-b]pyridine
PubChem CID81135625
Molecular FormulaC14H20ClN3
Molecular Weight265.79 g/mol
Exact Mass265.13
IUPAC Name2-(chloromethyl)-3-hexyl-5-methylimidazo[4,5-b]pyridine
SMILESCCCCCCn1c(CCl)nc2ccc(C)nc21
InChIInChI=1S/C14H20ClN3/c1-3-4-5-6-9-18-13(10-15)17-12-8-7-11(2)16-14(12)18/h7-8H,3-6,9-10H2,1-2H3
InChIKeyLZLKOMVUUKLNHG-UHFFFAOYSA-N
XLogP4.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-1H-1,3-benzodiazol-2-amine
CID 595193
Benzimidazole-2-carboxaldehyde, 1-methyl-, oxime
CID 135531459
1-ethyl-1H-1,3-benzodiazole
CID 485094
1-Phenylbenzimidazole deriv. 51
CID 639427
1,2-Dimethylbenzimidazole
CID 312693
1H-Benzimidazolium, 1,2,3-trimethyl-, iodide (1:1)
CID 199168
1-Ethyl-2-methylbenzimidazole
CID 22054
1-propyl-1H-1,3-benzodiazol-2-amine
CID 799602
2-chloro-1-methyl-1H-1,3-benzodiazole
CID 663080
1H-Benzimidazole-2-acetonitrile, 1-methyl-
CID 75953
1H-Benzimidazole, 5-chloro-1-ethyl-2-methyl-
CID 76064
1-(2-pyridinyl)-1H-benzimidazole
CID 852492

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-hexyl-5-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(chloromethyl)-3-hexyl-5-methylimidazo[4,5-b]pyridine (CID 81135625) is 2-(chloromethyl)-3-hexyl-5-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(chloromethyl)-3-hexyl-5-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(chloromethyl)-3-hexyl-5-methylimidazo[4,5-b]pyridine is CCCCCCn1c(CCl)nc2ccc(C)nc21.
What is the InChIKey of 2-(chloromethyl)-3-hexyl-5-methylimidazo[4,5-b]pyridine?
The InChIKey is LZLKOMVUUKLNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3/c1-3-4-5-6-9-18-13(10-15)17-12-8-7-11(2)16-14(12)18/h7-8H,3-6,9-10H2,1-2H3.
What are the key properties of 2-(chloromethyl)-3-hexyl-5-methylimidazo[4,5-b]pyridine?
2-(chloromethyl)-3-hexyl-5-methylimidazo[4,5-b]pyridine has a molecular weight of 265.79 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-hexyl-5-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 81135625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).