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

C14H10Cl3N3 — CID 104727625

IUPAC2-(chloromethyl)-1-(2,5-dichloro-4-methylphenyl)imidazo[4,5-c]pyridine
SMILESCc1cc(Cl)c(-n2c(CCl)nc3cnccc32)cc1Cl
InChIInChI=1S/C14H10Cl3N3/c1-8-4-10(17)13(5-9(8)16)20-12-2-3-18-7-11(12)19-14(20)6-15/h2-5,7H,6H2,1H3
InChIKeyMFMVCJJGHQZSHQ-UHFFFAOYSA-N
MW326.61 g/mol
LogP4.77
Rot. Bonds2

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

2-(chloromethyl)-1-(2,5-dichloro-4-methylphenyl)imidazo[4,5-c]pyridine (PubChem CID 104727625) has the molecular formula C14H10Cl3N3 and a molecular weight of 326.61 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2,5-dichloro-4-methylphenyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2,5-dichloro-4-methylphenyl)imidazo[4,5-c]pyridine
PubChem CID104727625
Molecular FormulaC14H10Cl3N3
Molecular Weight326.61 g/mol
Exact Mass324.99
IUPAC Name2-(chloromethyl)-1-(2,5-dichloro-4-methylphenyl)imidazo[4,5-c]pyridine
SMILESCc1cc(Cl)c(-n2c(CCl)nc3cnccc32)cc1Cl
InChIInChI=1S/C14H10Cl3N3/c1-8-4-10(17)13(5-9(8)16)20-12-2-3-18-7-11(12)19-14(20)6-15/h2-5,7H,6H2,1H3
InChIKeyMFMVCJJGHQZSHQ-UHFFFAOYSA-N
XLogP4.77
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.61
LogP ≤ 54.77
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-chloro-5-methylphenyl)imidazo[4,5-c]pyridine
CID 107637786
2-(chloromethyl)-1-(2,4-dichlorophenyl)imidazo[4,5-c]pyridine
CID 79291949
2-(chloromethyl)-1-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine
CID 79292852
2-(chloromethyl)-1-(3-chloro-2-methylphenyl)imidazo[4,5-c]pyridine
CID 79292643
2-(chloromethyl)-1-(2,3-dichlorophenyl)imidazo[4,5-c]pyridine
CID 79292227
1-(4-bromo-3-chlorophenyl)-2-(chloromethyl)imidazo[4,5-c]pyridine
CID 107614265
2-(2-chloroethyl)-1-(5-fluoro-2-methylphenyl)imidazo[4,5-c]pyridine
CID 79292154
1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79292378
2-(chloromethyl)-1-(1-methylpyrazol-3-yl)imidazo[4,5-c]pyridine
CID 79778523
2-(2-chloroethyl)-1-(2-chlorophenyl)imidazo[4,5-c]pyridine
CID 79292435
5-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]quinoline
CID 79273482
3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylaniline
CID 115378883

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2,5-dichloro-4-methylphenyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(chloromethyl)-1-(2,5-dichloro-4-methylphenyl)imidazo[4,5-c]pyridine (CID 104727625) is 2-(chloromethyl)-1-(2,5-dichloro-4-methylphenyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(chloromethyl)-1-(2,5-dichloro-4-methylphenyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(chloromethyl)-1-(2,5-dichloro-4-methylphenyl)imidazo[4,5-c]pyridine is Cc1cc(Cl)c(-n2c(CCl)nc3cnccc32)cc1Cl.
What is the InChIKey of 2-(chloromethyl)-1-(2,5-dichloro-4-methylphenyl)imidazo[4,5-c]pyridine?
The InChIKey is MFMVCJJGHQZSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3N3/c1-8-4-10(17)13(5-9(8)16)20-12-2-3-18-7-11(12)19-14(20)6-15/h2-5,7H,6H2,1H3.
What are the key properties of 2-(chloromethyl)-1-(2,5-dichloro-4-methylphenyl)imidazo[4,5-c]pyridine?
2-(chloromethyl)-1-(2,5-dichloro-4-methylphenyl)imidazo[4,5-c]pyridine has a molecular weight of 326.61 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2,5-dichloro-4-methylphenyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 104727625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).