6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine

C14H12ClN3O — CID 20820677

IUPAC6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine
SMILESCn1cnc2c(OCc3ccccc3)nc(Cl)cc21
InChIInChI=1S/C14H12ClN3O/c1-18-9-16-13-11(18)7-12(15)17-14(13)19-8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3
InChIKeyHJMYKQYLYCUFDJ-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.20
Rot. Bonds3

About 6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine

6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine (PubChem CID 20820677) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine
PubChem CID20820677
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine
SMILESCn1cnc2c(OCc3ccccc3)nc(Cl)cc21
InChIInChI=1S/C14H12ClN3O/c1-18-9-16-13-11(18)7-12(15)17-14(13)19-8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3
InChIKeyHJMYKQYLYCUFDJ-UHFFFAOYSA-N
XLogP3.20
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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CID 2008897
4-propan-2-yloxy-5H-pyrimido[5,4-b]indole
CID 3994853
4-Butoxy-8-methyl-5H-pyrimido[5,4-b]indole
CID 4988634
1-Amino-6-Cyclohex-3-Enylmethyloxypurine
CID 445967
4-butoxy-8-fluoro-5H-pyrimido[5,4-b]indole
CID 663916
4-butoxy-5H-pyrimido[5,4-b]indole
CID 664633
4-Propoxy-5H-pyrimido[5,4-b]indole
CID 2018623
2-[(4-Chloro-2-methylphenoxy)methyl]imidazo[1,2-a]pyrimidine
CID 700198
3-Chloro-8-(2,6-dichlorobenzyloxy)-2-methylimidazo[1,2-a]pyridine
CID 10569271
1-(2-Chloro-4-{[6-(methoxymethyl)-5-methyl-5H-pyrrolo [3,2-d]pyrimidin-4-yl]oxy}phenyl)-3-[3-(trifluoromethyl)phenyl]-urea
CID 52946085
Bamaluzole
CID 3086242
2-[(4-Chloro-3-methylphenoxy)methyl]imidazo[1,2-a]pyrimidine
CID 700189

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine?
The IUPAC name of 6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine (CID 20820677) is 6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine.
What is the SMILES notation for 6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine?
The canonical SMILES for 6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine is Cn1cnc2c(OCc3ccccc3)nc(Cl)cc21.
What is the InChIKey of 6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine?
The InChIKey is HJMYKQYLYCUFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-18-9-16-13-11(18)7-12(15)17-14(13)19-8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3.
What are the key properties of 6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine?
6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine has a molecular weight of 273.72 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-4-phenylmethoxyimidazo[4,5-c]pyridine is sourced from PubChem (CID 20820677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).