5,6-dichloro-2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole

C22H18Cl2N2O2 — CID 163409698

IUPAC5,6-dichloro-2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole
SMILESCOc1ccc(Cn2c(-c3ccc(OC)cc3)nc3cc(Cl)c(Cl)cc32)cc1
InChIInChI=1S/C22H18Cl2N2O2/c1-27-16-7-3-14(4-8-16)13-26-21-12-19(24)18(23)11-20(21)25-22(26)15-5-9-17(28-2)10-6-15/h3-12H,13H2,1-2H3
InChIKeyTUNSRZLXVGWCDL-UHFFFAOYSA-N
MW413.30 g/mol
LogP6.08
Rot. Bonds5

About 5,6-dichloro-2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole

5,6-dichloro-2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole (PubChem CID 163409698) has the molecular formula C22H18Cl2N2O2 and a molecular weight of 413.30 g/mol. Its IUPAC name is 5,6-dichloro-2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole
PubChem CID163409698
Molecular FormulaC22H18Cl2N2O2
Molecular Weight413.30 g/mol
Exact Mass412.07
IUPAC Name5,6-dichloro-2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole
SMILESCOc1ccc(Cn2c(-c3ccc(OC)cc3)nc3cc(Cl)c(Cl)cc32)cc1
InChIInChI=1S/C22H18Cl2N2O2/c1-27-16-7-3-14(4-8-16)13-26-21-12-19(24)18(23)11-20(21)25-22(26)15-5-9-17(28-2)10-6-15/h3-12H,13H2,1-2H3
InChIKeyTUNSRZLXVGWCDL-UHFFFAOYSA-N
XLogP6.08
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.30
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-1-[(4-methylphenyl)methyl]-2-(4-phenylphenyl)benzimidazole
CID 134083884
1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole
CID 45104451
5-chloro-2-(4-methoxyphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole
CID 57328802
5,6-dimethyl-2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 25128386
5,6-dichloro-1-[(4-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole
CID 129161938
1-[(2,6-dichlorophenyl)methyl]-2-(4-methoxyphenyl)benzimidazole
CID 18879455
2-(3,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 20930584
1-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)benzimidazole
CID 20930586
[4-[5,6-dichloro-1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 4915135
4-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]aniline
CID 92635754
2-(3,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]benzimidazole
CID 20930563
4-[(5,6-dichloro-2-methylbenzimidazol-1-yl)methyl]aniline
CID 94756819

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole?
The IUPAC name of 5,6-dichloro-2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole (CID 163409698) is 5,6-dichloro-2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole?
The canonical SMILES for 5,6-dichloro-2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole is COc1ccc(Cn2c(-c3ccc(OC)cc3)nc3cc(Cl)c(Cl)cc32)cc1.
What is the InChIKey of 5,6-dichloro-2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole?
The InChIKey is TUNSRZLXVGWCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O2/c1-27-16-7-3-14(4-8-16)13-26-21-12-19(24)18(23)11-20(21)25-22(26)15-5-9-17(28-2)10-6-15/h3-12H,13H2,1-2H3.
What are the key properties of 5,6-dichloro-2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole?
5,6-dichloro-2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole has a molecular weight of 413.30 g/mol, XLogP of 6.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole is sourced from PubChem (CID 163409698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).