5-[(3,4-dichlorophenyl)methyl]-2-phenyl-3,4-dihydroimidazo[4,5-c]pyridine

C19H15Cl2N3 — CID 67228328

IUPAC5-[(3,4-dichlorophenyl)methyl]-2-phenyl-3,4-dihydroimidazo[4,5-c]pyridine
SMILESClc1ccc(CN2C=Cc3nc(-c4ccccc4)[nH]c3C2)cc1Cl
InChIInChI=1S/C19H15Cl2N3/c20-15-7-6-13(10-16(15)21)11-24-9-8-17-18(12-24)23-19(22-17)14-4-2-1-3-5-14/h1-10H,11-12H2,(H,22,23)
InChIKeyXUDATRGOSWECAO-UHFFFAOYSA-N
MW356.26 g/mol
LogP5.37
Rot. Bonds3

About 5-[(3,4-dichlorophenyl)methyl]-2-phenyl-3,4-dihydroimidazo[4,5-c]pyridine

5-[(3,4-dichlorophenyl)methyl]-2-phenyl-3,4-dihydroimidazo[4,5-c]pyridine (PubChem CID 67228328) has the molecular formula C19H15Cl2N3 and a molecular weight of 356.26 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)methyl]-2-phenyl-3,4-dihydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)methyl]-2-phenyl-3,4-dihydroimidazo[4,5-c]pyridine
PubChem CID67228328
Molecular FormulaC19H15Cl2N3
Molecular Weight356.26 g/mol
Exact Mass355.06
IUPAC Name5-[(3,4-dichlorophenyl)methyl]-2-phenyl-3,4-dihydroimidazo[4,5-c]pyridine
SMILESClc1ccc(CN2C=Cc3nc(-c4ccccc4)[nH]c3C2)cc1Cl
InChIInChI=1S/C19H15Cl2N3/c20-15-7-6-13(10-16(15)21)11-24-9-8-17-18(12-24)23-19(22-17)14-4-2-1-3-5-14/h1-10H,11-12H2,(H,22,23)
InChIKeyXUDATRGOSWECAO-UHFFFAOYSA-N
XLogP5.37
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.26
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)methyl]-2-phenyl-3,4-dihydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-[(3,4-dichlorophenyl)methyl]-2-phenyl-3,4-dihydroimidazo[4,5-c]pyridine (CID 67228328) is 5-[(3,4-dichlorophenyl)methyl]-2-phenyl-3,4-dihydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)methyl]-2-phenyl-3,4-dihydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-[(3,4-dichlorophenyl)methyl]-2-phenyl-3,4-dihydroimidazo[4,5-c]pyridine is Clc1ccc(CN2C=Cc3nc(-c4ccccc4)[nH]c3C2)cc1Cl.
What is the InChIKey of 5-[(3,4-dichlorophenyl)methyl]-2-phenyl-3,4-dihydroimidazo[4,5-c]pyridine?
The InChIKey is XUDATRGOSWECAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3/c20-15-7-6-13(10-16(15)21)11-24-9-8-17-18(12-24)23-19(22-17)14-4-2-1-3-5-14/h1-10H,11-12H2,(H,22,23).
What are the key properties of 5-[(3,4-dichlorophenyl)methyl]-2-phenyl-3,4-dihydroimidazo[4,5-c]pyridine?
5-[(3,4-dichlorophenyl)methyl]-2-phenyl-3,4-dihydroimidazo[4,5-c]pyridine has a molecular weight of 356.26 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)methyl]-2-phenyl-3,4-dihydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 67228328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).