4-[(3,4-dichlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydron;chloride

C16H14Cl3N3 — CID 648020

IUPAC4-[(3,4-dichlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydron;chloride
SMILESClc1ccc(CN2C3=NCCN3c3ccccc32)cc1Cl.[Cl-].[H+]
InChIInChI=1S/C16H13Cl2N3.ClH/c17-12-6-5-11(9-13(12)18)10-21-15-4-2-1-3-14(15)20-8-7-19-16(20)21;/h1-6,9H,7-8,10H2;1H
InChIKeyYJGLJKIHNZTHHX-UHFFFAOYSA-N
MW354.67 g/mol
LogP1.31
Rot. Bonds2

About 4-[(3,4-dichlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydron;chloride

4-[(3,4-dichlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydron;chloride (PubChem CID 648020) has the molecular formula C16H14Cl3N3 and a molecular weight of 354.67 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydron;chloride.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydron;chloride
PubChem CID648020
Molecular FormulaC16H14Cl3N3
Molecular Weight354.67 g/mol
Exact Mass353.03
IUPAC Name4-[(3,4-dichlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydron;chloride
SMILESClc1ccc(CN2C3=NCCN3c3ccccc32)cc1Cl.[Cl-].[H+]
InChIInChI=1S/C16H13Cl2N3.ClH/c17-12-6-5-11(9-13(12)18)10-21-15-4-2-1-3-14(15)20-8-7-19-16(20)21;/h1-6,9H,7-8,10H2;1H
InChIKeyYJGLJKIHNZTHHX-UHFFFAOYSA-N
XLogP1.31
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.67
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydron;chloride?
The IUPAC name of 4-[(3,4-dichlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydron;chloride (CID 648020) is 4-[(3,4-dichlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydron;chloride.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydron;chloride?
The canonical SMILES for 4-[(3,4-dichlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydron;chloride is Clc1ccc(CN2C3=NCCN3c3ccccc32)cc1Cl.[Cl-].[H+].
What is the InChIKey of 4-[(3,4-dichlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydron;chloride?
The InChIKey is YJGLJKIHNZTHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3.ClH/c17-12-6-5-11(9-13(12)18)10-21-15-4-2-1-3-14(15)20-8-7-19-16(20)21;/h1-6,9H,7-8,10H2;1H.
What are the key properties of 4-[(3,4-dichlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydron;chloride?
4-[(3,4-dichlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydron;chloride has a molecular weight of 354.67 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydron;chloride is sourced from PubChem (CID 648020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).