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

C12H16ClN5 — CID 83018792

IUPAC2-(chloromethyl)-1-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine
SMILESCN1CCN(n2c(CCl)nc3cnccc32)CC1
InChIInChI=1S/C12H16ClN5/c1-16-4-6-17(7-5-16)18-11-2-3-14-9-10(11)15-12(18)8-13/h2-3,9H,4-8H2,1H3
InChIKeyGNXMKXYKHLVXPV-UHFFFAOYSA-N
MW265.75 g/mol
LogP1.05
Rot. Bonds2

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

2-(chloromethyl)-1-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine (PubChem CID 83018792) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-1-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine
PubChem CID83018792
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC Name2-(chloromethyl)-1-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine
SMILESCN1CCN(n2c(CCl)nc3cnccc32)CC1
InChIInChI=1S/C12H16ClN5/c1-16-4-6-17(7-5-16)18-11-2-3-14-9-10(11)15-12(18)8-13/h2-3,9H,4-8H2,1H3
InChIKeyGNXMKXYKHLVXPV-UHFFFAOYSA-N
XLogP1.05
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]morpholine
CID 83017656
2-(chloromethyl)-1-(1-methylpiperidin-4-yl)imidazo[4,5-c]pyridine
CID 79292719
2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylethanamine
CID 79292139
methyl 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]propanoate
CID 79292098
2-(chloromethyl)-1-(1-pyridin-3-ylethyl)imidazo[4,5-c]pyridine
CID 79292162
6-chloro-2-(2-chloroethyl)-1-(4-methylpiperazin-1-yl)benzimidazole
CID 83019221
2-(chloromethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine
CID 79362124
2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-c]pyridine
CID 79273930
2-(chloromethyl)-1-(1-methylpyrazol-3-yl)imidazo[4,5-c]pyridine
CID 79778523
2-(chloromethyl)-1-[2-(3-methylbutoxy)ethyl]imidazo[4,5-c]pyridine
CID 79292464
2-(chloromethyl)-1-(4-methylpentan-2-yl)imidazo[4,5-c]pyridine
CID 79292578
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-ethyl-N-methylethanamine
CID 79292261

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(chloromethyl)-1-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine (CID 83018792) is 2-(chloromethyl)-1-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(chloromethyl)-1-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(chloromethyl)-1-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine is CN1CCN(n2c(CCl)nc3cnccc32)CC1.
What is the InChIKey of 2-(chloromethyl)-1-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine?
The InChIKey is GNXMKXYKHLVXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-16-4-6-17(7-5-16)18-11-2-3-14-9-10(11)15-12(18)8-13/h2-3,9H,4-8H2,1H3.
What are the key properties of 2-(chloromethyl)-1-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine?
2-(chloromethyl)-1-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine has a molecular weight of 265.75 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 83018792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).