1-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)benzimidazole

C21H17ClN2O2 — CID 134816976

IUPAC1-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)benzimidazole
SMILESCOc1ccc(-c2nc3ccccc3n2-c2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C21H17ClN2O2/c1-25-16-11-12-17(20(13-16)26-2)21-23-18-5-3-4-6-19(18)24(21)15-9-7-14(22)8-10-15/h3-13H,1-2H3
InChIKeySIFFWBAWBUUJHR-UHFFFAOYSA-N
MW364.83 g/mol
LogP5.36
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)benzimidazole

1-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)benzimidazole (PubChem CID 134816976) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)benzimidazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)benzimidazole
PubChem CID134816976
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC Name1-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)benzimidazole
SMILESCOc1ccc(-c2nc3ccccc3n2-c2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C21H17ClN2O2/c1-25-16-11-12-17(20(13-16)26-2)21-23-18-5-3-4-6-19(18)24(21)15-9-7-14(22)8-10-15/h3-13H,1-2H3
InChIKeySIFFWBAWBUUJHR-UHFFFAOYSA-N
XLogP5.36
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.83
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)benzimidazole?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)benzimidazole (CID 134816976) is 1-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)benzimidazole.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)benzimidazole?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)benzimidazole is COc1ccc(-c2nc3ccccc3n2-c2ccc(Cl)cc2)c(OC)c1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)benzimidazole?
The InChIKey is SIFFWBAWBUUJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c1-25-16-11-12-17(20(13-16)26-2)21-23-18-5-3-4-6-19(18)24(21)15-9-7-14(22)8-10-15/h3-13H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)benzimidazole?
1-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)benzimidazole has a molecular weight of 364.83 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)benzimidazole is sourced from PubChem (CID 134816976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).