2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine;hydrochloride

C24H19Cl2N3O2 — CID 44530371

IUPAC2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine;hydrochloride
SMILESCl.Clc1ccc(OCc2ccccc2)c(Cc2ccc(-c3nc4ccncc4[nH]3)o2)c1
InChIInChI=1S/C24H18ClN3O2.ClH/c25-18-6-8-22(29-15-16-4-2-1-3-5-16)17(12-18)13-19-7-9-23(30-19)24-27-20-10-11-26-14-21(20)28-24;/h1-12,14H,13,15H2,(H,27,28);1H
InChIKeyJYVQSLNSWQTDBE-UHFFFAOYSA-N
MW452.34 g/mol
LogP6.46
Rot. Bonds6

About 2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine;hydrochloride

2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine;hydrochloride (PubChem CID 44530371) has the molecular formula C24H19Cl2N3O2 and a molecular weight of 452.34 g/mol. Its IUPAC name is 2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine;hydrochloride.

Molecular Properties

Compound Name2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine;hydrochloride
PubChem CID44530371
Molecular FormulaC24H19Cl2N3O2
Molecular Weight452.34 g/mol
Exact Mass451.09
IUPAC Name2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine;hydrochloride
SMILESCl.Clc1ccc(OCc2ccccc2)c(Cc2ccc(-c3nc4ccncc4[nH]3)o2)c1
InChIInChI=1S/C24H18ClN3O2.ClH/c25-18-6-8-22(29-15-16-4-2-1-3-5-16)17(12-18)13-19-7-9-23(30-19)24-27-20-10-11-26-14-21(20)28-24;/h1-12,14H,13,15H2,(H,27,28);1H
InChIKeyJYVQSLNSWQTDBE-UHFFFAOYSA-N
XLogP6.46
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.34
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine;hydrochloride?
The IUPAC name of 2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine;hydrochloride (CID 44530371) is 2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine;hydrochloride.
What is the SMILES notation for 2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine;hydrochloride?
The canonical SMILES for 2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine;hydrochloride is Cl.Clc1ccc(OCc2ccccc2)c(Cc2ccc(-c3nc4ccncc4[nH]3)o2)c1.
What is the InChIKey of 2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine;hydrochloride?
The InChIKey is JYVQSLNSWQTDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O2.ClH/c25-18-6-8-22(29-15-16-4-2-1-3-5-16)17(12-18)13-19-7-9-23(30-19)24-27-20-10-11-26-14-21(20)28-24;/h1-12,14H,13,15H2,(H,27,28);1H.
What are the key properties of 2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine;hydrochloride?
2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine;hydrochloride has a molecular weight of 452.34 g/mol, XLogP of 6.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(5-chloro-2-phenylmethoxyphenyl)methyl]furan-2-yl]-3H-imidazo[4,5-c]pyridine;hydrochloride is sourced from PubChem (CID 44530371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).