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

C14H11Cl2N3 — CID 107637786

IUPAC2-(chloromethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine
SMILESCc1ccc(Cl)c(-n2c(CCl)nc3cnccc32)c1
InChIInChI=1S/C14H11Cl2N3/c1-9-2-3-10(16)13(6-9)19-12-4-5-17-8-11(12)18-14(19)7-15/h2-6,8H,7H2,1H3
InChIKeyJVTHRNPCDNMALZ-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.12
Rot. Bonds2

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

2-(chloromethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine (PubChem CID 107637786) has the molecular formula C14H11Cl2N3 and a molecular weight of 292.17 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine
PubChem CID107637786
Molecular FormulaC14H11Cl2N3
Molecular Weight292.17 g/mol
Exact Mass291.03
IUPAC Name2-(chloromethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine
SMILESCc1ccc(Cl)c(-n2c(CCl)nc3cnccc32)c1
InChIInChI=1S/C14H11Cl2N3/c1-9-2-3-10(16)13(6-9)19-12-4-5-17-8-11(12)18-14(19)7-15/h2-6,8H,7H2,1H3
InChIKeyJVTHRNPCDNMALZ-UHFFFAOYSA-N
XLogP4.12
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.12
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-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine
CID 79292852
2-(chloromethyl)-1-(2,5-dichloro-4-methylphenyl)imidazo[4,5-c]pyridine
CID 104727625
5,6-dichloro-2-(chloromethyl)-1-(2-chloro-5-methylphenyl)benzimidazole
CID 107637779
2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637855
2-(chloromethyl)-1-(3-chloro-2-methylphenyl)imidazo[4,5-c]pyridine
CID 79292643
2-(chloromethyl)-1-(2,4-dichlorophenyl)imidazo[4,5-c]pyridine
CID 79291949
2-(chloromethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole
CID 43660436
2-(1-chloroethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine
CID 107637841
2-(chloromethyl)-1-(2,3-dichlorophenyl)imidazo[4,5-c]pyridine
CID 79292227
2-(2-chloroethyl)-1-(2-chloro-5-methylphenyl)-5-methylbenzimidazole
CID 107637799
1-(4-bromo-3-chlorophenyl)-2-(chloromethyl)imidazo[4,5-c]pyridine
CID 107614265
2-(2-chloroethyl)-1-(2-chlorophenyl)imidazo[4,5-c]pyridine
CID 79292435

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(chloromethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine (CID 107637786) is 2-(chloromethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(chloromethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(chloromethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine is Cc1ccc(Cl)c(-n2c(CCl)nc3cnccc32)c1.
What is the InChIKey of 2-(chloromethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine?
The InChIKey is JVTHRNPCDNMALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3/c1-9-2-3-10(16)13(6-9)19-12-4-5-17-8-11(12)18-14(19)7-15/h2-6,8H,7H2,1H3.
What are the key properties of 2-(chloromethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine?
2-(chloromethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine has a molecular weight of 292.17 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2-chloro-5-methylphenyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 107637786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).