2-[2-[3-(3,4-dichlorophenoxy)propoxy]phenyl]-3H-imidazo[4,5-c]pyridine

C21H17Cl2N3O2 — CID 19864797

IUPAC2-[2-[3-(3,4-dichlorophenoxy)propoxy]phenyl]-3H-imidazo[4,5-c]pyridine
SMILESClc1ccc(OCCCOc2ccccc2-c2nc3ccncc3[nH]2)cc1Cl
InChIInChI=1S/C21H17Cl2N3O2/c22-16-7-6-14(12-17(16)23)27-10-3-11-28-20-5-2-1-4-15(20)21-25-18-8-9-24-13-19(18)26-21/h1-2,4-9,12-13H,3,10-11H2,(H,25,26)
InChIKeyGJBDJUSYOLYIKM-UHFFFAOYSA-N
MW414.29 g/mol
LogP5.78
Rot. Bonds7

About 2-[2-[3-(3,4-dichlorophenoxy)propoxy]phenyl]-3H-imidazo[4,5-c]pyridine

2-[2-[3-(3,4-dichlorophenoxy)propoxy]phenyl]-3H-imidazo[4,5-c]pyridine (PubChem CID 19864797) has the molecular formula C21H17Cl2N3O2 and a molecular weight of 414.29 g/mol. Its IUPAC name is 2-[2-[3-(3,4-dichlorophenoxy)propoxy]phenyl]-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[2-[3-(3,4-dichlorophenoxy)propoxy]phenyl]-3H-imidazo[4,5-c]pyridine
PubChem CID19864797
Molecular FormulaC21H17Cl2N3O2
Molecular Weight414.29 g/mol
Exact Mass413.07
IUPAC Name2-[2-[3-(3,4-dichlorophenoxy)propoxy]phenyl]-3H-imidazo[4,5-c]pyridine
SMILESClc1ccc(OCCCOc2ccccc2-c2nc3ccncc3[nH]2)cc1Cl
InChIInChI=1S/C21H17Cl2N3O2/c22-16-7-6-14(12-17(16)23)27-10-3-11-28-20-5-2-1-4-15(20)21-25-18-8-9-24-13-19(18)26-21/h1-2,4-9,12-13H,3,10-11H2,(H,25,26)
InChIKeyGJBDJUSYOLYIKM-UHFFFAOYSA-N
XLogP5.78
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.29
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[3-(3,4-dichlorophenoxy)propoxy]phenyl]-3H-imidazo[4,5-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-pentoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride
CID 45259699
6-methyl-2-[2-[3-[2-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 59378105
2-[2-[5-[2-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole
CID 25255578
2-(4-butoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride
CID 13450790
2-[2-(1-phenylethoxy)phenyl]-3H-imidazo[4,5-c]pyridine
CID 19864779
methyl 2-[4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxyphenoxy]acetate
CID 19821943
2-(4-methylsulfanyl-2-propoxyphenyl)-3H-imidazo[4,5-c]pyridine
CID 13450837
2-[2-(fluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine
CID 143605442
3-[2-(1H-benzimidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine
CID 168554276
2-(4-methoxy-2-prop-2-ynoxyphenyl)-3H-imidazo[4,5-c]pyridine
CID 13145901
2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile
CID 19821941
3-ethoxy-4-(3H-imidazo[4,5-c]pyridin-2-yl)phenol
CID 135999342

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(3,4-dichlorophenoxy)propoxy]phenyl]-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[2-[3-(3,4-dichlorophenoxy)propoxy]phenyl]-3H-imidazo[4,5-c]pyridine (CID 19864797) is 2-[2-[3-(3,4-dichlorophenoxy)propoxy]phenyl]-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[2-[3-(3,4-dichlorophenoxy)propoxy]phenyl]-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[2-[3-(3,4-dichlorophenoxy)propoxy]phenyl]-3H-imidazo[4,5-c]pyridine is Clc1ccc(OCCCOc2ccccc2-c2nc3ccncc3[nH]2)cc1Cl.
What is the InChIKey of 2-[2-[3-(3,4-dichlorophenoxy)propoxy]phenyl]-3H-imidazo[4,5-c]pyridine?
The InChIKey is GJBDJUSYOLYIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O2/c22-16-7-6-14(12-17(16)23)27-10-3-11-28-20-5-2-1-4-15(20)21-25-18-8-9-24-13-19(18)26-21/h1-2,4-9,12-13H,3,10-11H2,(H,25,26).
What are the key properties of 2-[2-[3-(3,4-dichlorophenoxy)propoxy]phenyl]-3H-imidazo[4,5-c]pyridine?
2-[2-[3-(3,4-dichlorophenoxy)propoxy]phenyl]-3H-imidazo[4,5-c]pyridine has a molecular weight of 414.29 g/mol, XLogP of 5.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(3,4-dichlorophenoxy)propoxy]phenyl]-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 19864797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).