5-chloro-2-(4-methoxyphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole

C24H23ClN2O4 — CID 57328802

IUPAC5-chloro-2-(4-methoxyphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole
SMILESCOc1ccc(-c2nc3cc(Cl)ccc3n2Cc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C24H23ClN2O4/c1-28-18-8-5-16(6-9-18)24-26-19-13-17(25)7-10-20(19)27(24)14-15-11-21(29-2)23(31-4)22(12-15)30-3/h5-13H,14H2,1-4H3
InChIKeyRKIYADMQYCOQLU-UHFFFAOYSA-N
MW438.91 g/mol
LogP5.44
Rot. Bonds7

About 5-chloro-2-(4-methoxyphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole

5-chloro-2-(4-methoxyphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole (PubChem CID 57328802) has the molecular formula C24H23ClN2O4 and a molecular weight of 438.91 g/mol. Its IUPAC name is 5-chloro-2-(4-methoxyphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name5-chloro-2-(4-methoxyphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole
PubChem CID57328802
Molecular FormulaC24H23ClN2O4
Molecular Weight438.91 g/mol
Exact Mass438.13
IUPAC Name5-chloro-2-(4-methoxyphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole
SMILESCOc1ccc(-c2nc3cc(Cl)ccc3n2Cc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C24H23ClN2O4/c1-28-18-8-5-16(6-9-18)24-26-19-13-17(25)7-10-20(19)27(24)14-15-11-21(29-2)23(31-4)22(12-15)30-3/h5-13H,14H2,1-4H3
InChIKeyRKIYADMQYCOQLU-UHFFFAOYSA-N
XLogP5.44
TPSA54.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.91
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dichloro-2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole
CID 163409698
5-methoxy-1-[(4-methylphenyl)methyl]-2-(4-phenylphenyl)benzimidazole
CID 134083884
2-(2,6-difluorophenyl)-5-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole
CID 57327928
[4-(1-benzylbenzimidazol-2-yl)phenyl] 5-chloro-2-methoxybenzenesulfonate
CID 110504374
1-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)benzimidazole
CID 20930586
4-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]aniline
CID 92635754
1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole
CID 45104451
1-[(4-chlorophenyl)methyl]-5-phenylmethoxy-2-(4-phenylphenyl)benzimidazole
CID 170765439
5-chloro-1-[(4-chlorophenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole
CID 129161925
5-chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-(2-methylpropyl)benzimidazole
CID 46310881
5-methoxy-1-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)indole
CID 164622798
1-[(4-chlorophenyl)methyl]-2-(2-methoxyphenyl)-5-phenylmethoxybenzimidazole
CID 170765469

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-methoxyphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole?
The IUPAC name of 5-chloro-2-(4-methoxyphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole (CID 57328802) is 5-chloro-2-(4-methoxyphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole.
What is the SMILES notation for 5-chloro-2-(4-methoxyphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole?
The canonical SMILES for 5-chloro-2-(4-methoxyphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole is COc1ccc(-c2nc3cc(Cl)ccc3n2Cc2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 5-chloro-2-(4-methoxyphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole?
The InChIKey is RKIYADMQYCOQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O4/c1-28-18-8-5-16(6-9-18)24-26-19-13-17(25)7-10-20(19)27(24)14-15-11-21(29-2)23(31-4)22(12-15)30-3/h5-13H,14H2,1-4H3.
What are the key properties of 5-chloro-2-(4-methoxyphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole?
5-chloro-2-(4-methoxyphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole has a molecular weight of 438.91 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-methoxyphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazole is sourced from PubChem (CID 57328802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).