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

C16H22ClN3 — CID 79292816

IUPAC2-(chloromethyl)-1-(1-cyclohexylpropyl)imidazo[4,5-c]pyridine
SMILESCCC(C1CCCCC1)n1c(CCl)nc2cnccc21
InChIInChI=1S/C16H22ClN3/c1-2-14(12-6-4-3-5-7-12)20-15-8-9-18-11-13(15)19-16(20)10-17/h8-9,11-12,14H,2-7,10H2,1H3
InChIKeyYJLVKPYHNCHULR-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.70
Rot. Bonds4

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

2-(chloromethyl)-1-(1-cyclohexylpropyl)imidazo[4,5-c]pyridine (PubChem CID 79292816) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(1-cyclohexylpropyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-1-(1-cyclohexylpropyl)imidazo[4,5-c]pyridine
PubChem CID79292816
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name2-(chloromethyl)-1-(1-cyclohexylpropyl)imidazo[4,5-c]pyridine
SMILESCCC(C1CCCCC1)n1c(CCl)nc2cnccc21
InChIInChI=1S/C16H22ClN3/c1-2-14(12-6-4-3-5-7-12)20-15-8-9-18-11-13(15)19-16(20)10-17/h8-9,11-12,14H,2-7,10H2,1H3
InChIKeyYJLVKPYHNCHULR-UHFFFAOYSA-N
XLogP4.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 54.70
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-cyclohexylpropyl)-5-fluorobenzimidazole
CID 63547042
2-(chloromethyl)-1-(4-methylpentan-2-yl)imidazo[4,5-c]pyridine
CID 79292578
2-(chloromethyl)-1-(1-cyclohexylethyl)benzimidazole
CID 55222184
2-(chloromethyl)-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]pyridine
CID 79292719
2-(2-chloroethyl)-1-cyclooctylimidazo[4,5-c]pyridine
CID 79292911
2-(chloromethyl)-1-(1-pyridin-3-ylethyl)imidazo[4,5-c]pyridine
CID 79292162
2-(chloromethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine
CID 79362124
3-butan-2-yl-2-(chloromethyl)imidazo[4,5-c]pyridine
CID 130597335
2-(chloromethyl)-1-[1-(furan-2-yl)propan-2-yl]imidazo[4,5-c]pyridine
CID 79292030
2-(chloromethyl)-1-[(2-methylcyclopentyl)methyl]imidazo[4,5-c]pyridine
CID 107419703
2-[1-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-4-methyl-1,3-thiazole
CID 79292830
2-(chloromethyl)-1-(2,2-dimethyloxan-4-yl)imidazo[4,5-c]pyridine
CID 83029337

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(1-cyclohexylpropyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(chloromethyl)-1-(1-cyclohexylpropyl)imidazo[4,5-c]pyridine (CID 79292816) is 2-(chloromethyl)-1-(1-cyclohexylpropyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(chloromethyl)-1-(1-cyclohexylpropyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(chloromethyl)-1-(1-cyclohexylpropyl)imidazo[4,5-c]pyridine is CCC(C1CCCCC1)n1c(CCl)nc2cnccc21.
What is the InChIKey of 2-(chloromethyl)-1-(1-cyclohexylpropyl)imidazo[4,5-c]pyridine?
The InChIKey is YJLVKPYHNCHULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-2-14(12-6-4-3-5-7-12)20-15-8-9-18-11-13(15)19-16(20)10-17/h8-9,11-12,14H,2-7,10H2,1H3.
What are the key properties of 2-(chloromethyl)-1-(1-cyclohexylpropyl)imidazo[4,5-c]pyridine?
2-(chloromethyl)-1-(1-cyclohexylpropyl)imidazo[4,5-c]pyridine has a molecular weight of 291.83 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(1-cyclohexylpropyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 79292816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).