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

C14H18ClN3 — CID 107419703

IUPAC2-(chloromethyl)-1-[(2-methylcyclopentyl)methyl]imidazo[4,5-c]pyridine
SMILESCC1CCCC1Cn1c(CCl)nc2cnccc21
InChIInChI=1S/C14H18ClN3/c1-10-3-2-4-11(10)9-18-13-5-6-16-8-12(13)17-14(18)7-15/h5-6,8,10-11H,2-4,7,9H2,1H3
InChIKeyPKZIOTYXJLERBE-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.61
Rot. Bonds3

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

2-(chloromethyl)-1-[(2-methylcyclopentyl)methyl]imidazo[4,5-c]pyridine (PubChem CID 107419703) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[(2-methylcyclopentyl)methyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-1-[(2-methylcyclopentyl)methyl]imidazo[4,5-c]pyridine
PubChem CID107419703
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name2-(chloromethyl)-1-[(2-methylcyclopentyl)methyl]imidazo[4,5-c]pyridine
SMILESCC1CCCC1Cn1c(CCl)nc2cnccc21
InChIInChI=1S/C14H18ClN3/c1-10-3-2-4-11(10)9-18-13-5-6-16-8-12(13)17-14(18)7-15/h5-6,8,10-11H,2-4,7,9H2,1H3
InChIKeyPKZIOTYXJLERBE-UHFFFAOYSA-N
XLogP3.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.61
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-(2-chloroethyl)-1-[(2-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine
CID 79292880
5-chloro-2-(2-chloroethyl)-1-[(2-methylcyclopentyl)methyl]benzimidazole
CID 107419697
1-(2-bicyclo[2.2.1]heptanylmethyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79273203
2-(2-chloroethyl)-5-fluoro-1-[(2-methylcyclohexyl)methyl]benzimidazole
CID 63546675
2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylethanamine
CID 79292139
2-(2-chloroethyl)-1-(thiolan-2-ylmethyl)imidazo[4,5-c]pyridine
CID 80585713
2-(chloromethyl)-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazo[4,5-c]pyridine
CID 79274455
2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide
CID 79292582
2-(chloromethyl)-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]pyridine
CID 79292719
2-(chloromethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine
CID 79362124
2-(chloromethyl)-1-(1-cyclohexylpropyl)imidazo[4,5-c]pyridine
CID 79292816
2-(2-chloroethyl)-1-(3,4-dimethylcyclohexyl)imidazo[4,5-c]pyridine
CID 79292202

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-[(2-methylcyclopentyl)methyl]imidazo[4,5-c]pyridine?
The IUPAC name of 2-(chloromethyl)-1-[(2-methylcyclopentyl)methyl]imidazo[4,5-c]pyridine (CID 107419703) is 2-(chloromethyl)-1-[(2-methylcyclopentyl)methyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(chloromethyl)-1-[(2-methylcyclopentyl)methyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(chloromethyl)-1-[(2-methylcyclopentyl)methyl]imidazo[4,5-c]pyridine is CC1CCCC1Cn1c(CCl)nc2cnccc21.
What is the InChIKey of 2-(chloromethyl)-1-[(2-methylcyclopentyl)methyl]imidazo[4,5-c]pyridine?
The InChIKey is PKZIOTYXJLERBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-10-3-2-4-11(10)9-18-13-5-6-16-8-12(13)17-14(18)7-15/h5-6,8,10-11H,2-4,7,9H2,1H3.
What are the key properties of 2-(chloromethyl)-1-[(2-methylcyclopentyl)methyl]imidazo[4,5-c]pyridine?
2-(chloromethyl)-1-[(2-methylcyclopentyl)methyl]imidazo[4,5-c]pyridine has a molecular weight of 263.77 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-[(2-methylcyclopentyl)methyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 107419703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).