1-[(3,4-dichlorophenyl)methyl]-2-[(2,5-dimethylphenoxy)methyl]benzimidazole

C23H20Cl2N2O — CID 18878159

IUPAC1-[(3,4-dichlorophenyl)methyl]-2-[(2,5-dimethylphenoxy)methyl]benzimidazole
SMILESCc1ccc(C)c(OCc2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C23H20Cl2N2O/c1-15-7-8-16(2)22(11-15)28-14-23-26-20-5-3-4-6-21(20)27(23)13-17-9-10-18(24)19(25)12-17/h3-12H,13-14H2,1-2H3
InChIKeyQRHNGGMACNUFMJ-UHFFFAOYSA-N
MW411.33 g/mol
LogP6.59
Rot. Bonds5

About 1-[(3,4-dichlorophenyl)methyl]-2-[(2,5-dimethylphenoxy)methyl]benzimidazole

1-[(3,4-dichlorophenyl)methyl]-2-[(2,5-dimethylphenoxy)methyl]benzimidazole (PubChem CID 18878159) has the molecular formula C23H20Cl2N2O and a molecular weight of 411.33 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-2-[(2,5-dimethylphenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-2-[(2,5-dimethylphenoxy)methyl]benzimidazole
PubChem CID18878159
Molecular FormulaC23H20Cl2N2O
Molecular Weight411.33 g/mol
Exact Mass410.10
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-2-[(2,5-dimethylphenoxy)methyl]benzimidazole
SMILESCc1ccc(C)c(OCc2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C23H20Cl2N2O/c1-15-7-8-16(2)22(11-15)28-14-23-26-20-5-3-4-6-21(20)27(23)13-17-9-10-18(24)19(25)12-17/h3-12H,13-14H2,1-2H3
InChIKeyQRHNGGMACNUFMJ-UHFFFAOYSA-N
XLogP6.59
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.33
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,5-dimethylphenoxy)methyl]-1-(naphthalen-2-ylmethyl)benzimidazole
CID 18878170
2-[2-[(2,5-dimethylphenoxy)methyl]benzimidazol-1-yl]acetonitrile
CID 39151486
1-[4-(2-chlorophenoxy)butyl]-2-[(2,5-dimethylphenoxy)methyl]benzimidazole
CID 18878209
2-[(2,5-dimethylphenoxy)methyl]-1-(3-methylbutyl)benzimidazole
CID 18878149
1-[(4-tert-butylphenyl)methyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997714
2-[(4-chlorophenoxy)methyl]-1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazole
CID 16997079
ethyl 2-[2-[(2,5-dimethylphenoxy)methyl]benzimidazol-1-yl]acetate
CID 16998057
1-benzyl-2-[(2-chlorophenoxy)methyl]benzimidazole
CID 16997302
1-[(4-tert-butylphenyl)methyl]-2-[(2-chlorophenoxy)methyl]benzimidazole
CID 16997320
1-[4-(2,5-dimethylphenoxy)butyl]-2-(naphthalen-1-yloxymethyl)benzimidazole
CID 16999405
2-[2-[(2,5-dimethylphenoxy)methyl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 16998038
2-[(2,5-dimethylphenoxy)methyl]-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 16998007

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-2-[(2,5-dimethylphenoxy)methyl]benzimidazole?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-2-[(2,5-dimethylphenoxy)methyl]benzimidazole (CID 18878159) is 1-[(3,4-dichlorophenyl)methyl]-2-[(2,5-dimethylphenoxy)methyl]benzimidazole.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-2-[(2,5-dimethylphenoxy)methyl]benzimidazole?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-2-[(2,5-dimethylphenoxy)methyl]benzimidazole is Cc1ccc(C)c(OCc2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-2-[(2,5-dimethylphenoxy)methyl]benzimidazole?
The InChIKey is QRHNGGMACNUFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O/c1-15-7-8-16(2)22(11-15)28-14-23-26-20-5-3-4-6-21(20)27(23)13-17-9-10-18(24)19(25)12-17/h3-12H,13-14H2,1-2H3.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-2-[(2,5-dimethylphenoxy)methyl]benzimidazole?
1-[(3,4-dichlorophenyl)methyl]-2-[(2,5-dimethylphenoxy)methyl]benzimidazole has a molecular weight of 411.33 g/mol, XLogP of 6.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-2-[(2,5-dimethylphenoxy)methyl]benzimidazole is sourced from PubChem (CID 18878159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).