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

C21H16Cl2N2O — CID 18879455

IUPAC1-[(2,6-dichlorophenyl)methyl]-2-(4-methoxyphenyl)benzimidazole
SMILESCOc1ccc(-c2nc3ccccc3n2Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C21H16Cl2N2O/c1-26-15-11-9-14(10-12-15)21-24-19-7-2-3-8-20(19)25(21)13-16-17(22)5-4-6-18(16)23/h2-12H,13H2,1H3
InChIKeyPGRDRPXXRRRATE-UHFFFAOYSA-N
MW383.28 g/mol
LogP6.07
Rot. Bonds4

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

1-[(2,6-dichlorophenyl)methyl]-2-(4-methoxyphenyl)benzimidazole (PubChem CID 18879455) has the molecular formula C21H16Cl2N2O and a molecular weight of 383.28 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-2-(4-methoxyphenyl)benzimidazole.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-2-(4-methoxyphenyl)benzimidazole
PubChem CID18879455
Molecular FormulaC21H16Cl2N2O
Molecular Weight383.28 g/mol
Exact Mass382.06
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-2-(4-methoxyphenyl)benzimidazole
SMILESCOc1ccc(-c2nc3ccccc3n2Cc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C21H16Cl2N2O/c1-26-15-11-9-14(10-12-15)21-24-19-7-2-3-8-20(19)25(21)13-16-17(22)5-4-6-18(16)23/h2-12H,13H2,1H3
InChIKeyPGRDRPXXRRRATE-UHFFFAOYSA-N
XLogP6.07
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.28
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,6-dichlorophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001690
2-(3,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 20930584
1-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)benzimidazole
CID 20930586
1-(2-ethoxyethyl)-2-(4-methoxyphenyl)benzimidazole
CID 3507993
[4-(1-benzylbenzimidazol-2-yl)phenyl] 2-(4-methoxyphenyl)acetate
CID 110494122
5,6-dichloro-2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole
CID 163409698
N,N-diethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]ethanamine
CID 21391
1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole
CID 45104451
1-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001335
1-[(2,6-dichlorophenyl)methyl]-2-methylsulfanylbenzimidazole
CID 804558
1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000627
1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000523

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-2-(4-methoxyphenyl)benzimidazole?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-2-(4-methoxyphenyl)benzimidazole (CID 18879455) is 1-[(2,6-dichlorophenyl)methyl]-2-(4-methoxyphenyl)benzimidazole.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-2-(4-methoxyphenyl)benzimidazole?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-2-(4-methoxyphenyl)benzimidazole is COc1ccc(-c2nc3ccccc3n2Cc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-2-(4-methoxyphenyl)benzimidazole?
The InChIKey is PGRDRPXXRRRATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O/c1-26-15-11-9-14(10-12-15)21-24-19-7-2-3-8-20(19)25(21)13-16-17(22)5-4-6-18(16)23/h2-12H,13H2,1H3.
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-2-(4-methoxyphenyl)benzimidazole?
1-[(2,6-dichlorophenyl)methyl]-2-(4-methoxyphenyl)benzimidazole has a molecular weight of 383.28 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-2-(4-methoxyphenyl)benzimidazole is sourced from PubChem (CID 18879455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).