4-[[4-(4-chlorophenyl)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole

C22H18ClN3 — CID 118710316

IUPAC4-[[4-(4-chlorophenyl)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESClc1ccc(-c2ccc(CN3C4=NCCN4c4ccccc43)cc2)cc1
InChIInChI=1S/C22H18ClN3/c23-19-11-9-18(10-12-19)17-7-5-16(6-8-17)15-26-21-4-2-1-3-20(21)25-14-13-24-22(25)26/h1-12H,13-15H2
InChIKeyYMBUOIGJLSZUKQ-UHFFFAOYSA-N
MW359.86 g/mol
LogP5.20
Rot. Bonds3

About 4-[[4-(4-chlorophenyl)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole

4-[[4-(4-chlorophenyl)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole (PubChem CID 118710316) has the molecular formula C22H18ClN3 and a molecular weight of 359.86 g/mol. Its IUPAC name is 4-[[4-(4-chlorophenyl)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-[[4-(4-chlorophenyl)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
PubChem CID118710316
Molecular FormulaC22H18ClN3
Molecular Weight359.86 g/mol
Exact Mass359.12
IUPAC Name4-[[4-(4-chlorophenyl)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESClc1ccc(-c2ccc(CN3C4=NCCN4c4ccccc43)cc2)cc1
InChIInChI=1S/C22H18ClN3/c23-19-11-9-18(10-12-19)17-7-5-16(6-8-17)15-26-21-4-2-1-3-20(21)25-14-13-24-22(25)26/h1-12H,13-15H2
InChIKeyYMBUOIGJLSZUKQ-UHFFFAOYSA-N
XLogP5.20
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.86
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-chlorophenyl)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
The IUPAC name of 4-[[4-(4-chlorophenyl)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole (CID 118710316) is 4-[[4-(4-chlorophenyl)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole.
What is the SMILES notation for 4-[[4-(4-chlorophenyl)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
The canonical SMILES for 4-[[4-(4-chlorophenyl)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole is Clc1ccc(-c2ccc(CN3C4=NCCN4c4ccccc43)cc2)cc1.
What is the InChIKey of 4-[[4-(4-chlorophenyl)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
The InChIKey is YMBUOIGJLSZUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3/c23-19-11-9-18(10-12-19)17-7-5-16(6-8-17)15-26-21-4-2-1-3-20(21)25-14-13-24-22(25)26/h1-12H,13-15H2.
What are the key properties of 4-[[4-(4-chlorophenyl)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole?
4-[[4-(4-chlorophenyl)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole has a molecular weight of 359.86 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-chlorophenyl)phenyl]methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole is sourced from PubChem (CID 118710316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).