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

C16H13Cl2N3 — CID 648021

IUPAC4-[(3,4-dichlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESClc1ccc(CN2C3=NCCN3c3ccccc32)cc1Cl
InChIInChI=1S/C16H13Cl2N3/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
InChIKeyOMCKFLDQQYNNMS-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.19
Rot. Bonds2

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

4-[(3,4-dichlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole (PubChem CID 648021) has the molecular formula C16H13Cl2N3 and a molecular weight of 318.21 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
PubChem CID648021
Molecular FormulaC16H13Cl2N3
Molecular Weight318.21 g/mol
Exact Mass317.05
IUPAC Name4-[(3,4-dichlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESClc1ccc(CN2C3=NCCN3c3ccccc32)cc1Cl
InChIInChI=1S/C16H13Cl2N3/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
InChIKeyOMCKFLDQQYNNMS-UHFFFAOYSA-N
XLogP4.19
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.19
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?
The IUPAC name of 4-[(3,4-dichlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole (CID 648021) is 4-[(3,4-dichlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
The canonical SMILES for 4-[(3,4-dichlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole is Clc1ccc(CN2C3=NCCN3c3ccccc32)cc1Cl.
What is the InChIKey of 4-[(3,4-dichlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
The InChIKey is OMCKFLDQQYNNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3/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.
What are the key properties of 4-[(3,4-dichlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
4-[(3,4-dichlorophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole has a molecular weight of 318.21 g/mol, XLogP of 4.19, 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 is sourced from PubChem (CID 648021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).