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

C16H16ClN3O — CID 79273930

IUPAC2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-c]pyridine
SMILESCOc1ccc(CCn2c(CCl)nc3cnccc32)cc1
InChIInChI=1S/C16H16ClN3O/c1-21-13-4-2-12(3-5-13)7-9-20-15-6-8-18-11-14(15)19-16(20)10-17/h2-6,8,11H,7,9-10H2,1H3
InChIKeyQNAIWHHVLSTTHL-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.42
Rot. Bonds5

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

2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-c]pyridine (PubChem CID 79273930) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-c]pyridine
PubChem CID79273930
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-c]pyridine
SMILESCOc1ccc(CCn2c(CCl)nc3cnccc32)cc1
InChIInChI=1S/C16H16ClN3O/c1-21-13-4-2-12(3-5-13)7-9-20-15-6-8-18-11-14(15)19-16(20)10-17/h2-6,8,11H,7,9-10H2,1H3
InChIKeyQNAIWHHVLSTTHL-UHFFFAOYSA-N
XLogP3.42
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]propanoate
CID 79292098
2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylethanamine
CID 79292139
2-(chloromethyl)-6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]benzimidazole
CID 80685753
2-(chloromethyl)-1-[2-(3-methylbutoxy)ethyl]imidazo[4,5-c]pyridine
CID 79292464
2-(2-chloroethyl)-1-(4-methoxybutyl)imidazo[4,5-c]pyridine
CID 79291828
4-[2-(1-propylimidazo[4,5-c]pyridin-2-yl)ethyl]aniline
CID 115339636
2-(2-chloroethyl)-1-(2-thiophen-3-ylethyl)imidazo[4,5-c]pyridine
CID 79292245
2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine
CID 79292889
2-(chloromethyl)-1-(2,2,3,3-tetramethylcyclopropyl)imidazo[4,5-c]pyridine
CID 79362124
2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N-(2-methoxyethyl)acetamide
CID 113405656
2-(chloromethyl)-1-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine
CID 83018792
2-[2-(2-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-diethylethanamine
CID 79292917

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-c]pyridine?
The IUPAC name of 2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-c]pyridine (CID 79273930) is 2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-c]pyridine is COc1ccc(CCn2c(CCl)nc3cnccc32)cc1.
What is the InChIKey of 2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-c]pyridine?
The InChIKey is QNAIWHHVLSTTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-21-13-4-2-12(3-5-13)7-9-20-15-6-8-18-11-14(15)19-16(20)10-17/h2-6,8,11H,7,9-10H2,1H3.
What are the key properties of 2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-c]pyridine?
2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-c]pyridine has a molecular weight of 301.78 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 79273930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).